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

C23H31N3O4S — CID 54585344

IUPAC(2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCCC2)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1
InChIInChI=1S/C23H31N3O4S/c1-16(2)31(29,30)19-11-12-26(22(27)14-19)20(13-18-7-5-4-6-8-18)23(28)25-21-10-9-17(3)15-24-21/h9-12,14-16,18,20H,4-8,13H2,1-3H3,(H,24,25,28)/t20-/m0/s1
InChIKeyCMVJPDGJFABMKS-FQEVSTJZSA-N
MW445.59 g/mol
LogP3.88
Rot. Bonds7

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

(2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide (PubChem CID 54585344) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide
PubChem CID54585344
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name(2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCCC2)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1
InChIInChI=1S/C23H31N3O4S/c1-16(2)31(29,30)19-11-12-26(22(27)14-19)20(13-18-7-5-4-6-8-18)23(28)25-21-10-9-17(3)15-24-21/h9-12,14-16,18,20H,4-8,13H2,1-3H3,(H,24,25,28)/t20-/m0/s1
InChIKeyCMVJPDGJFABMKS-FQEVSTJZSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide with MolForge

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Launch Full Analysis

Related Compounds

Velneperit
CID 20629114
1-methylsulfonyl-N-pyridin-2-yl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 60210915
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CID 18107076
N-{2-methyl-1-[(pyridin-2-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3239768
N-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}cyclohexanecarboxamide
CID 9550400
N-(6-Amino-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44379904
N-(6-Amino-4-methyl-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44380201
(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
4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide
CID 4058680
(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
NEP inhibitor, 6r
CID 57340118

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide?
The IUPAC name of (2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide (CID 54585344) is (2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide?
The canonical SMILES for (2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide is Cc1ccc(NC(=O)[C@H](CC2CCCCC2)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1.
What is the InChIKey of (2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide?
The InChIKey is CMVJPDGJFABMKS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-16(2)31(29,30)19-11-12-26(22(27)14-19)20(13-18-7-5-4-6-8-18)23(28)25-21-10-9-17(3)15-24-21/h9-12,14-16,18,20H,4-8,13H2,1-3H3,(H,24,25,28)/t20-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide?
(2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide has a molecular weight of 445.59 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)propanamide is sourced from PubChem (CID 54585344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).