(2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide

C23H31N3O4S — CID 54583427

IUPAC(2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(C)c(S(=O)(=O)C(C)C)cc2=O)nc1
InChIInChI=1S/C23H31N3O4S/c1-15(2)31(29,30)20-12-22(27)26(14-17(20)4)19(11-18-7-5-6-8-18)23(28)25-21-10-9-16(3)13-24-21/h9-10,12-15,18-19H,5-8,11H2,1-4H3,(H,24,25,28)/t19-/m0/s1
InChIKeyKGYRTIPUVFJHMZ-IBGZPJMESA-N
MW445.59 g/mol
LogP3.80
Rot. Bonds7

About (2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide

(2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 54583427) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID54583427
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name(2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(C)c(S(=O)(=O)C(C)C)cc2=O)nc1
InChIInChI=1S/C23H31N3O4S/c1-15(2)31(29,30)20-12-22(27)26(14-17(20)4)19(11-18-7-5-6-8-18)23(28)25-21-10-9-16(3)13-24-21/h9-10,12-15,18-19H,5-8,11H2,1-4H3,(H,24,25,28)/t19-/m0/s1
InChIKeyKGYRTIPUVFJHMZ-IBGZPJMESA-N
XLogP3.80
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-methyl-1-[(pyridin-2-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3239768
(S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54580432
(S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)propanamide
CID 54581443
(2S)-N-[(2S)-1-[(2S)-2-(benzenesulfonamidomethyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 73777109
2-(3-Amino-4-cyclopentylmethanesulfonyl-6-methyl-2-oxo-2H-pyridin-1-yl)-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide
CID 44281580
(S)-2-(4-(cyclobutylsulfonyl)-2-oxopyridin-1(2H)-yl)-3-cyclopentyl-N-(5-methylpyridin-2-yl)propanamide
CID 54580433
(S)-2-(5-chloro-4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-3-cyclopentyl-N-(5-methylpyridin-2-yl)propanamide
CID 54580434
(S)-2-(5-chloro-4-(methylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-chloropyridin-2-yl)-3-cyclopentylpropanamide
CID 54580435
(S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-(4-(methylsulfonyl)-2-oxopyridin-1(2H)-yl)propanamide
CID 54581442
(S)-3-cyclopentyl-2-(5-methyl-4-(methylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54582448
(S)-3-cyclobutyl-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54582449
(S)-3-(4,4-difluorocyclohexyl)-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54582450

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide (CID 54583427) is (2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(C)c(S(=O)(=O)C(C)C)cc2=O)nc1.
What is the InChIKey of (2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is KGYRTIPUVFJHMZ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-15(2)31(29,30)20-12-22(27)26(14-17(20)4)19(11-18-7-5-6-8-18)23(28)25-21-10-9-16(3)13-24-21/h9-10,12-15,18-19H,5-8,11H2,1-4H3,(H,24,25,28)/t19-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
(2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 445.59 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-(5-methyl-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 54583427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).