(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide

C14H20N2O4S — CID 7393559

IUPAC(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NC1CC1
InChIInChI=1S/C14H20N2O4S/c1-9-4-7-12(20-3)13(8-9)21(18,19)16-10(2)14(17)15-11-5-6-11/h4,7-8,10-11,16H,5-6H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyVVFYCAFFBUTICS-SNVBAGLBSA-N
MW312.39 g/mol
LogP0.95
Rot. Bonds6

About (2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide

(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide (PubChem CID 7393559) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
PubChem CID7393559
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NC1CC1
InChIInChI=1S/C14H20N2O4S/c1-9-4-7-12(20-3)13(8-9)21(18,19)16-10(2)14(17)15-11-5-6-11/h4,7-8,10-11,16H,5-6H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyVVFYCAFFBUTICS-SNVBAGLBSA-N
XLogP0.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 124549238
(2R)-N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 7369499
(2S)-N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539687
(2S)-N-cyclooctyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540372
N-cyclooctyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871149
2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347501
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46799189
(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7376444
(2R)-N-(2,5-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 124548996
(2R)-N-(furan-2-ylmethyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7476998
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide (CID 7393559) is (2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide is COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide?
The InChIKey is VVFYCAFFBUTICS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-4-7-12(20-3)13(8-9)21(18,19)16-10(2)14(17)15-11-5-6-11/h4,7-8,10-11,16H,5-6H2,1-3H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide?
(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide has a molecular weight of 312.39 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 7393559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).