5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide

C14H19N3O3S3 — CID 30600984

IUPAC5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1nc(CCNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cs1
InChIInChI=1S/C14H19N3O3S3/c1-10-17-11(9-21-10)5-7-15-14(18)13-4-3-12(22-13)6-8-16-23(2,19)20/h3-4,9,16H,5-8H2,1-2H3,(H,15,18)
InChIKeySNQSJCKMFHYJGZ-UHFFFAOYSA-N
MW373.53 g/mol
LogP1.58
Rot. Bonds8

About 5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide

5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 30600984) has the molecular formula C14H19N3O3S3 and a molecular weight of 373.53 g/mol. Its IUPAC name is 5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID30600984
Molecular FormulaC14H19N3O3S3
Molecular Weight373.53 g/mol
Exact Mass373.06
IUPAC Name5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1nc(CCNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cs1
InChIInChI=1S/C14H19N3O3S3/c1-10-17-11(9-21-10)5-7-15-14(18)13-4-3-12(22-13)6-8-16-23(2,19)20/h3-4,9,16H,5-8H2,1-2H3,(H,15,18)
InChIKeySNQSJCKMFHYJGZ-UHFFFAOYSA-N
XLogP1.58
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide (CID 30600984) is 5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide is Cc1nc(CCNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cs1.
What is the InChIKey of 5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is SNQSJCKMFHYJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S3/c1-10-17-11(9-21-10)5-7-15-14(18)13-4-3-12(22-13)6-8-16-23(2,19)20/h3-4,9,16H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 373.53 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 30600984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).