(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C15H21ClN2O5S — CID 7477015

IUPAC(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1Cl
InChIInChI=1S/C15H21ClN2O5S/c1-10(15(19)17-9-11-4-3-7-23-11)18-24(20,21)12-5-6-14(22-2)13(16)8-12/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3,(H,17,19)/t10-,11+/m0/s1
InChIKeyWRAMYZZWTHHSDK-WDEREUQCSA-N
MW376.86 g/mol
LogP1.31
Rot. Bonds7

About (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 7477015) has the molecular formula C15H21ClN2O5S and a molecular weight of 376.86 g/mol. Its IUPAC name is (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID7477015
Molecular FormulaC15H21ClN2O5S
Molecular Weight376.86 g/mol
Exact Mass376.09
IUPAC Name(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1Cl
InChIInChI=1S/C15H21ClN2O5S/c1-10(15(19)17-9-11-4-3-7-23-11)18-24(20,21)12-5-6-14(22-2)13(16)8-12/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3,(H,17,19)/t10-,11+/m0/s1
InChIKeyWRAMYZZWTHHSDK-WDEREUQCSA-N
XLogP1.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide with MolForge

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Related Compounds

(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7453365
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 7354928
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
CID 28541625
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
CID 146130981
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 30478931
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 124551909
2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 4512257
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1143002
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chlorophenyl)propanamide
CID 3885405
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1143041

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 7477015) is (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1Cl.
What is the InChIKey of (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is WRAMYZZWTHHSDK-WDEREUQCSA-N. The full InChI is InChI=1S/C15H21ClN2O5S/c1-10(15(19)17-9-11-4-3-7-23-11)18-24(20,21)12-5-6-14(22-2)13(16)8-12/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3,(H,17,19)/t10-,11+/m0/s1.
What are the key properties of (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 376.86 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 7477015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).