3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

C22H22N2O3S2 — CID 18275492

IUPAC3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H22N2O3S2/c1-16-4-6-17(7-5-16)20-12-15-28-21(20)22(25)23-18-8-10-19(11-9-18)29(26,27)24-13-2-3-14-24/h4-12,15H,2-3,13-14H2,1H3,(H,23,25)
InChIKeyOSWQKPGJAYCCIU-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.76
Rot. Bonds5

About 3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 18275492) has the molecular formula C22H22N2O3S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID18275492
Molecular FormulaC22H22N2O3S2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC Name3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H22N2O3S2/c1-16-4-6-17(7-5-16)20-12-15-28-21(20)22(25)23-18-8-10-19(11-9-18)29(26,27)24-13-2-3-14-24/h4-12,15H,2-3,13-14H2,1H3,(H,23,25)
InChIKeyOSWQKPGJAYCCIU-UHFFFAOYSA-N
XLogP4.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55386902
3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525
3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 27677053
N-[4-(dimethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55523013
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18276754
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
2-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17309488
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
methyl N-[4-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 55804603

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide (CID 18275492) is 3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is OSWQKPGJAYCCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S2/c1-16-4-6-17(7-5-16)20-12-15-28-21(20)22(25)23-18-8-10-19(11-9-18)29(26,27)24-13-2-3-14-24/h4-12,15H,2-3,13-14H2,1H3,(H,23,25).
What are the key properties of 3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 18275492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).