(2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide

C24H37N3O6S — CID 40624650

IUPAC(2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide
SMILESCC[C@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H37N3O6S/c1-3-22(24(29)26-18-8-5-4-6-9-18)27(17-20-10-7-15-33-20)23(28)16-25-34(30,31)21-13-11-19(32-2)12-14-21/h11-14,18,20,22,25H,3-10,15-17H2,1-2H3,(H,26,29)/t20-,22+/m0/s1
InChIKeyYSKZYFJXAVUQMY-RBBKRZOGSA-N
MW495.64 g/mol
LogP2.21
Rot. Bonds11

About (2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide

(2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide (PubChem CID 40624650) has the molecular formula C24H37N3O6S and a molecular weight of 495.64 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide
PubChem CID40624650
Molecular FormulaC24H37N3O6S
Molecular Weight495.64 g/mol
Exact Mass495.24
IUPAC Name(2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide
SMILESCC[C@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H37N3O6S/c1-3-22(24(29)26-18-8-5-4-6-9-18)27(17-20-10-7-15-33-20)23(28)16-25-34(30,31)21-13-11-19(32-2)12-14-21/h11-14,18,20,22,25H,3-10,15-17H2,1-2H3,(H,26,29)/t20-,22+/m0/s1
InChIKeyYSKZYFJXAVUQMY-RBBKRZOGSA-N
XLogP2.21
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide with MolForge

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Related Compounds

2-[(2-chloroacetyl)-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809784
(2R)-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 124765244
3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 3206894
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 651872
N-tert-butyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide
CID 3206890
(2R)-2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100595074
N-cyclohexyl-2-[[2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132639116
N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide
CID 25412994
2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132641136
(2S)-2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100531993
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]butanamide
CID 132644511
N-cyclohexyl-2-[[2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132639118

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide (CID 40624650) is (2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide is CC[C@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide?
The InChIKey is YSKZYFJXAVUQMY-RBBKRZOGSA-N. The full InChI is InChI=1S/C24H37N3O6S/c1-3-22(24(29)26-18-8-5-4-6-9-18)27(17-20-10-7-15-33-20)23(28)16-25-34(30,31)21-13-11-19(32-2)12-14-21/h11-14,18,20,22,25H,3-10,15-17H2,1-2H3,(H,26,29)/t20-,22+/m0/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide?
(2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide has a molecular weight of 495.64 g/mol, XLogP of 2.21, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide is sourced from PubChem (CID 40624650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).