3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide

C24H26ClN3O3S2 — CID 87604418

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN3O3S2/c1-15-14-16(2)22(28-11-4-5-12-28)17(3)21(15)26-24(29)23-20(10-13-32-23)27-33(30,31)19-8-6-18(25)7-9-19/h6-10,13-14,27H,4-5,11-12H2,1-3H3,(H,26,29)
InChIKeyJNIWHWOBUSWWPN-UHFFFAOYSA-N
MW504.08 g/mol
LogP5.98
Rot. Bonds6

About 3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide

3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 87604418) has the molecular formula C24H26ClN3O3S2 and a molecular weight of 504.08 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
PubChem CID87604418
Molecular FormulaC24H26ClN3O3S2
Molecular Weight504.08 g/mol
Exact Mass503.11
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN3O3S2/c1-15-14-16(2)22(28-11-4-5-12-28)17(3)21(15)26-24(29)23-20(10-13-32-23)27-33(30,31)19-8-6-18(25)7-9-19/h6-10,13-14,27H,4-5,11-12H2,1-3H3,(H,26,29)
InChIKeyJNIWHWOBUSWWPN-UHFFFAOYSA-N
XLogP5.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.08
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 87603776
3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 25252988
3-[(4-fluorobenzoyl)amino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87603974
3-[(4-chloro-2-methylphenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 143785114
4-[(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 59643651
3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87604038
4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
CID 58125751
3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
CID 58125790
2,4-dimethyl-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
CID 58125845
N-(4-chlorophenyl)-3-[(3-chlorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 70120101
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 143785127

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide (CID 87604418) is 3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide is Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is JNIWHWOBUSWWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S2/c1-15-14-16(2)22(28-11-4-5-12-28)17(3)21(15)26-24(29)23-20(10-13-32-23)27-33(30,31)19-8-6-18(25)7-9-19/h6-10,13-14,27H,4-5,11-12H2,1-3H3,(H,26,29).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 504.08 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 87604418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).