2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate

C68H61F3N16O14S5 — CID 162278386

About 2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate

2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate (PubChem CID 162278386) has the molecular formula C68H61F3N16O14S5 and a molecular weight of 1543.66 g/mol. Its IUPAC name is 2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: 2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate
• PubChem CID: 162278386
• Molecular Formula: C68H61F3N16O14S5
• Molecular Weight: 1543.66 g/mol
• Exact Mass: 1542.31
• IUPAC Name: 2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate
• SMILES: CC(=O)Nc1cc(C(=O)Nc2sccc2S(=O)(=O)c2ccccn2)ccn1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccccc2n1C.CCOC(=O)NC(=O)c1ccsc1NCc1cccc(NC(=O)C(F)(F)F)c1.CN(C)c1nnc(-c2cc[nH]c2NC(=O)c2nc3ccccc3s2)o1
• InChI: InChI=1S/C18H17N3O4S.C17H16F3N3O4S.C17H14N4O4S2.C16H14N6O2S/c1-3-25-18(24)20-15(22)12-8-9-26-17(12)19-16(23)14-10-11-6-4-5-7-13(11)21(14)2;1-2-27-16(26)23-13(24)12-6-7-28-14(12)21-9-10-4-3-5-11(8-10)22-15(25)17(18,19)20;1-11(22)20-14-10-12(5-8-18-14)16(23)21-17-13(6-9-26-17)27(24,25)15-4-2-3-7-19-15;1-22(2)16-21-20-14(24-16)9-7-8-17-12(9)19-13(23)15-18-10-5-3-4-6-11(10)25-15/h4-10H,3H2,1-2H3,(H,19,23)(H,20,22,24);3-8,21H,2,9H2,1H3,(H,22,25)(H,23,24,26);2-10H,1H3,(H,21,23)(H,18,20,22);3-8,17H,1-2H3,(H,19,23)
• InChIKey: DQDMBAZQJFOMGE-UHFFFAOYSA-N
• XLogP: 12.70
• TPSA: 404.02 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1543.66
LogP ≤ 5	12.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate?

The IUPAC name of 2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate (CID 162278386) is 2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate.

What is the SMILES notation for 2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate?

The canonical SMILES for 2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate is CC(=O)Nc1cc(C(=O)Nc2sccc2S(=O)(=O)c2ccccn2)ccn1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccccc2n1C.CCOC(=O)NC(=O)c1ccsc1NCc1cccc(NC(=O)C(F)(F)F)c1.CN(C)c1nnc(-c2cc[nH]c2NC(=O)c2nc3ccccc3s2)o1.

What is the InChIKey of 2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate?

The InChIKey is DQDMBAZQJFOMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S.C17H16F3N3O4S.C17H14N4O4S2.C16H14N6O2S/c1-3-25-18(24)20-15(22)12-8-9-26-17(12)19-16(23)14-10-11-6-4-5-7-13(11)21(14)2;1-2-27-16(26)23-13(24)12-6-7-28-14(12)21-9-10-4-3-5-11(8-10)22-15(25)17(18,19)20;1-11(22)20-14-10-12(5-8-18-14)16(23)21-17-13(6-9-26-17)27(24,25)15-4-2-3-7-19-15;1-22(2)16-21-20-14(24-16)9-7-8-17-12(9)19-13(23)15-18-10-5-3-4-6-11(10)25-15/h4-10H,3H2,1-2H3,(H,19,23)(H,20,22,24);3-8,21H,2,9H2,1H3,(H,22,25)(H,23,24,26);2-10H,1H3,(H,21,23)(H,18,20,22);3-8,17H,1-2H3,(H,19,23).

What are the key properties of 2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate?

2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate has a molecular weight of 1543.66 g/mol, XLogP of 12.70, 19 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-(3-pyridin-2-ylsulfonylthiophen-2-yl)pyridine-4-carboxamide;N-[3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl N-[2-[(1-methylindole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methylamino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 162278386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).