N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

C19H24N4O4S2 — CID 46700188

IUPACN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)s1
InChIInChI=1S/C19H24N4O4S2/c1-29(26,27)21-9-8-14-5-7-17(28-14)19(25)22-15-12-13(18(20)24)4-6-16(15)23-10-2-3-11-23/h4-7,12,21H,2-3,8-11H2,1H3,(H2,20,24)(H,22,25)
InChIKeyKXGWLFCRFTVOSN-UHFFFAOYSA-N
MW436.56 g/mol
LogP1.79
Rot. Bonds8

About N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (PubChem CID 46700188) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
PubChem CID46700188
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)s1
InChIInChI=1S/C19H24N4O4S2/c1-29(26,27)21-9-8-14-5-7-17(28-14)19(25)22-15-12-13(18(20)24)4-6-16(15)23-10-2-3-11-23/h4-7,12,21H,2-3,8-11H2,1H3,(H2,20,24)(H,22,25)
InChIKeyKXGWLFCRFTVOSN-UHFFFAOYSA-N
XLogP1.79
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 41269492
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 41270353
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27285772
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614147
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 24675949
ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 46700228
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide
CID 167756186
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24653936
3-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55909801

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (CID 46700188) is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)s1.
What is the InChIKey of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The InChIKey is KXGWLFCRFTVOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c1-29(26,27)21-9-8-14-5-7-17(28-14)19(25)22-15-12-13(18(20)24)4-6-16(15)23-10-2-3-11-23/h4-7,12,21H,2-3,8-11H2,1H3,(H2,20,24)(H,22,25).
What are the key properties of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46700188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).