N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide

C22H24N4O3S2 — CID 26224528

IUPACN-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide
SMILESO=C(NCc1ccccn1)c1cc(NCc2cccs2)cc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H24N4O3S2/c27-22(25-15-18-6-1-2-8-23-18)17-12-19(24-16-20-7-5-11-30-20)14-21(13-17)31(28,29)26-9-3-4-10-26/h1-2,5-8,11-14,24H,3-4,9-10,15-16H2,(H,25,27)
InChIKeySXQUVYZFHNDFIM-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.47
Rot. Bonds8

About N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide

N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide (PubChem CID 26224528) has the molecular formula C22H24N4O3S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide
PubChem CID26224528
Molecular FormulaC22H24N4O3S2
Molecular Weight456.59 g/mol
Exact Mass456.13
IUPAC NameN-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide
SMILESO=C(NCc1ccccn1)c1cc(NCc2cccs2)cc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H24N4O3S2/c27-22(25-15-18-6-1-2-8-23-18)17-12-19(24-16-20-7-5-11-30-20)14-21(13-17)31(28,29)26-9-3-4-10-26/h1-2,5-8,11-14,24H,3-4,9-10,15-16H2,(H,25,27)
InChIKeySXQUVYZFHNDFIM-UHFFFAOYSA-N
XLogP3.47
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26215762
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55783525
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 109064311
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55597318
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004473
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35864868
3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46819848
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 6502784
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 55341761

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide (CID 26224528) is N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide is O=C(NCc1ccccn1)c1cc(NCc2cccs2)cc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide?
The InChIKey is SXQUVYZFHNDFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S2/c27-22(25-15-18-6-1-2-8-23-18)17-12-19(24-16-20-7-5-11-30-20)14-21(13-17)31(28,29)26-9-3-4-10-26/h1-2,5-8,11-14,24H,3-4,9-10,15-16H2,(H,25,27).
What are the key properties of N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide?
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide has a molecular weight of 456.59 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide is sourced from PubChem (CID 26224528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).