5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride

C44H31Cl3F14N6O4S2 — CID 159824835

IUPAC5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1csc(N)c1.Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1csc(NC(=O)c2cccnc2Cl)c1.O=C(Cl)c1cccnc1Cl
InChIInChI=1S/C22H15ClF7N3O2S.C16H13F7N2OS.C6H3Cl2NO/c1-10-6-13(20(24,21(25,26)27)22(28,29)30)7-11(2)16(10)33-18(34)12-8-15(36-9-12)32-19(35)14-4-3-5-31-17(14)23;1-7-3-10(14(17,15(18,19)20)16(21,22)23)4-8(2)12(7)25-13(26)9-5-11(24)27-6-9;7-5-4(6(8)10)2-1-3-9-5/h3-9H,1-2H3,(H,32,35)(H,33,34);3-6H,24H2,1-2H3,(H,25,26);1-3H
InChIKeyNMRYAYSXELBIJE-UHFFFAOYSA-N
MW1144.23 g/mol
LogP14.81
Rot. Bonds9

About 5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride

5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride (PubChem CID 159824835) has the molecular formula C44H31Cl3F14N6O4S2 and a molecular weight of 1144.23 g/mol. Its IUPAC name is 5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride
PubChem CID159824835
Molecular FormulaC44H31Cl3F14N6O4S2
Molecular Weight1144.23 g/mol
Exact Mass1142.07
IUPAC Name5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1csc(N)c1.Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1csc(NC(=O)c2cccnc2Cl)c1.O=C(Cl)c1cccnc1Cl
InChIInChI=1S/C22H15ClF7N3O2S.C16H13F7N2OS.C6H3Cl2NO/c1-10-6-13(20(24,21(25,26)27)22(28,29)30)7-11(2)16(10)33-18(34)12-8-15(36-9-12)32-19(35)14-4-3-5-31-17(14)23;1-7-3-10(14(17,15(18,19)20)16(21,22)23)4-8(2)12(7)25-13(26)9-5-11(24)27-6-9;7-5-4(6(8)10)2-1-3-9-5/h3-9H,1-2H3,(H,32,35)(H,33,34);3-6H,24H2,1-2H3,(H,25,26);1-3H
InChIKeyNMRYAYSXELBIJE-UHFFFAOYSA-N
XLogP14.81
TPSA156.17 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.23
LogP ≤ 514.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride?
The IUPAC name of 5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride (CID 159824835) is 5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride.
What is the SMILES notation for 5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride?
The canonical SMILES for 5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride is Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1csc(N)c1.Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1csc(NC(=O)c2cccnc2Cl)c1.O=C(Cl)c1cccnc1Cl.
What is the InChIKey of 5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride?
The InChIKey is NMRYAYSXELBIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF7N3O2S.C16H13F7N2OS.C6H3Cl2NO/c1-10-6-13(20(24,21(25,26)27)22(28,29)30)7-11(2)16(10)33-18(34)12-8-15(36-9-12)32-19(35)14-4-3-5-31-17(14)23;1-7-3-10(14(17,15(18,19)20)16(21,22)23)4-8(2)12(7)25-13(26)9-5-11(24)27-6-9;7-5-4(6(8)10)2-1-3-9-5/h3-9H,1-2H3,(H,32,35)(H,33,34);3-6H,24H2,1-2H3,(H,25,26);1-3H.
What are the key properties of 5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride?
5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride has a molecular weight of 1144.23 g/mol, XLogP of 14.81, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]thiophene-3-carboxamide;2-chloro-N-[4-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride is sourced from PubChem (CID 159824835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).