(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide

C17H26N2O5S — CID 6724357

IUPAC(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O5S/c1-24-14-7-9-15(10-8-14)25(22,23)19-16(12-20)17(21)18-11-13-5-3-2-4-6-13/h7-10,13,16,19-20H,2-6,11-12H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyGYMXOZVKYVTHRA-INIZCTEOSA-N
MW370.47 g/mol
LogP1.03
Rot. Bonds8

About (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide

(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 6724357) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID6724357
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O5S/c1-24-14-7-9-15(10-8-14)25(22,23)19-16(12-20)17(21)18-11-13-5-3-2-4-6-13/h7-10,13,16,19-20H,2-6,11-12H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyGYMXOZVKYVTHRA-INIZCTEOSA-N
XLogP1.03
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 6724353
(2S)-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724362
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250
3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide
CID 4190087
(2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide
CID 6667385
2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119513298
N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 4608789
2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide
CID 5122714
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7453365
3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide
CID 134349887
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 6724357) is (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)NCC2CCCCC2)cc1.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is GYMXOZVKYVTHRA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-24-14-7-9-15(10-8-14)25(22,23)19-16(12-20)17(21)18-11-13-5-3-2-4-6-13/h7-10,13,16,19-20H,2-6,11-12H2,1H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 370.47 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 6724357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).