diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

C54H82N8O11S4 — CID 160909391

About diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 160909391) has the molecular formula C54H82N8O11S4 and a molecular weight of 1147.56 g/mol. Its IUPAC name is diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• PubChem CID: 160909391
• Molecular Formula: C54H82N8O11S4
• Molecular Weight: 1147.56 g/mol
• Exact Mass: 1146.50
• IUPAC Name: diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• SMILES: CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(N)cc3S(=O)(=O)N3CCCC3)s2)CC1.CCOC(OCC)OCC.CNc1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(S(=O)(=O)N2CCCC2)c1
• InChI: InChI=1S/C24H34N4O4S2.C23H32N4O4S2.C7H16O3/c1-16(2)32-24(29)27-18-8-6-17(7-9-18)23-26-15-21(33-23)20-11-10-19(25-3)14-22(20)34(30,31)28-12-4-5-13-28;1-15(2)31-23(28)26-18-8-5-16(6-9-18)22-25-14-20(32-22)19-10-7-17(24)13-21(19)33(29,30)27-11-3-4-12-27;1-4-8-7(9-5-2)10-6-3/h10-11,14-18,25H,4-9,12-13H2,1-3H3,(H,27,29);7,10,13-16,18H,3-6,8-9,11-12,24H2,1-2H3,(H,26,28);7H,4-6H2,1-3H3
• InChIKey: SQOMQAOPYRPAHA-UHFFFAOYSA-N
• XLogP: 10.51
• TPSA: 242.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1147.56
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The IUPAC name of diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 160909391) is diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

What is the SMILES notation for diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The canonical SMILES for diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(N)cc3S(=O)(=O)N3CCCC3)s2)CC1.CCOC(OCC)OCC.CNc1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(S(=O)(=O)N2CCCC2)c1.

What is the InChIKey of diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The InChIKey is SQOMQAOPYRPAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S2.C23H32N4O4S2.C7H16O3/c1-16(2)32-24(29)27-18-8-6-17(7-9-18)23-26-15-21(33-23)20-11-10-19(25-3)14-22(20)34(30,31)28-12-4-5-13-28;1-15(2)31-23(28)26-18-8-5-16(6-9-18)22-25-14-20(32-22)19-10-7-17(24)13-21(19)33(29,30)27-11-3-4-12-27;1-4-8-7(9-5-2)10-6-3/h10-11,14-18,25H,4-9,12-13H2,1-3H3,(H,27,29);7,10,13-16,18H,3-6,8-9,11-12,24H2,1-2H3,(H,26,28);7H,4-6H2,1-3H3.

What are the key properties of diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 1147.56 g/mol, XLogP of 10.51, 19 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for diethoxymethoxyethane;propan-2-yl N-[4-[5-(4-amino-2-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-[4-(methylamino)-2-pyrrolidin-1-ylsulfonylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 160909391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).