5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C15H18N2O3S3 — CID 6502784

IUPAC5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H18N2O3S3/c1-11-14(23(19,20)17-6-2-3-7-17)9-13(22-11)15(18)16-10-12-5-4-8-21-12/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,16,18)
InChIKeyRBSQPWPOUSKUDK-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.83
Rot. Bonds5

About 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 6502784) has the molecular formula C15H18N2O3S3 and a molecular weight of 370.52 g/mol. Its IUPAC name is 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID6502784
Molecular FormulaC15H18N2O3S3
Molecular Weight370.52 g/mol
Exact Mass370.05
IUPAC Name5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H18N2O3S3/c1-11-14(23(19,20)17-6-2-3-7-17)9-13(22-11)15(18)16-10-12-5-4-8-21-12/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,16,18)
InChIKeyRBSQPWPOUSKUDK-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55597318
N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6503006
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6502778
N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502783
N-(3,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502749
1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 126589186
N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502748
4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 5008714
1-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3242699
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 46349331
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 6502784) is 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is Cc1sc(C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is RBSQPWPOUSKUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S3/c1-11-14(23(19,20)17-6-2-3-7-17)9-13(22-11)15(18)16-10-12-5-4-8-21-12/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,16,18).
What are the key properties of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 6502784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).