N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide

C19H18N2O3S2 — CID 1247057

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1csc2ccccc12
InChIInChI=1S/C19H18N2O3S2/c22-19(17-13-25-18-6-2-1-5-16(17)18)20-14-7-9-15(10-8-14)26(23,24)21-11-3-4-12-21/h1-2,5-10,13H,3-4,11-12H2,(H,20,22)
InChIKeyJYJACGMPPGGIEE-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.94
Rot. Bonds4

About N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide (PubChem CID 1247057) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide
PubChem CID1247057
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1csc2ccccc12
InChIInChI=1S/C19H18N2O3S2/c22-19(17-13-25-18-6-2-1-5-16(17)18)20-14-7-9-15(10-8-14)26(23,24)21-11-3-4-12-21/h1-2,5-10,13H,3-4,11-12H2,(H,20,22)
InChIKeyJYJACGMPPGGIEE-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1010360
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
N-(4-aminophenyl)-1-benzothiophene-3-carboxamide
CID 55012552
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
2-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5181244
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2444020
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide
CID 2971227
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 1007928

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide (CID 1247057) is N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1csc2ccccc12.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide?
The InChIKey is JYJACGMPPGGIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c22-19(17-13-25-18-6-2-1-5-16(17)18)20-14-7-9-15(10-8-14)26(23,24)21-11-3-4-12-21/h1-2,5-10,13H,3-4,11-12H2,(H,20,22).
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1247057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).