N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C17H21N3O3S — CID 6626029

IUPACN-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-13-5-7-14(8-6-13)19-17(21)16-11-15(12-18-16)24(22,23)20-9-3-4-10-20/h5-8,11-12,18H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyNQAOEQCJFUNLTL-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.61
Rot. Bonds5

About N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 6626029) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID6626029
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-13-5-7-14(8-6-13)19-17(21)16-11-15(12-18-16)24(22,23)20-9-3-4-10-20/h5-8,11-12,18H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyNQAOEQCJFUNLTL-UHFFFAOYSA-N
XLogP2.61
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bersacapavir
CID 121294984
N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110288
(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 23647616
(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-2,3-dihydro-1H-indole-5-sulfonamide
CID 11461275
N-methyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16110287
N-methyl-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110289
N-(4-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 16110290
N-methyl-N-(4-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 16110291
(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-2,3-dihydro-1H-indole-5-sulfonamide
CID 21051556
N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913659
N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913660
4-(cyclopropylmethylamino)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzenesulfonamide
CID 89657377

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 6626029) is N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is NQAOEQCJFUNLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-13-5-7-14(8-6-13)19-17(21)16-11-15(12-18-16)24(22,23)20-9-3-4-10-20/h5-8,11-12,18H,2-4,9-10H2,1H3,(H,19,21).
What are the key properties of N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 6626029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).