(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide

C13H18N2O4S — CID 167949883

IUPAC(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-9(16)13(17)15-11-4-6-12(7-5-11)20(18,19)14-8-10-2-3-10/h4-7,9-10,14,16H,2-3,8H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyPKWLEDBLHWNCFL-VIFPVBQESA-N
MW298.36 g/mol
LogP0.69
Rot. Bonds6

About (2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide

(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide (PubChem CID 167949883) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is (2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
PubChem CID167949883
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-9(16)13(17)15-11-4-6-12(7-5-11)20(18,19)14-8-10-2-3-10/h4-7,9-10,14,16H,2-3,8H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyPKWLEDBLHWNCFL-VIFPVBQESA-N
XLogP0.69
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887477
(2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119287752
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649627
N-[4-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 110291740
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119720516
N-[4-[(3-hydroxycyclopentyl)methylsulfamoyl]phenyl]acetamide
CID 103270149
N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166195615
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
N-[4-(cyclopropylmethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 119287751
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124650011
N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506803
N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 92506331

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide (CID 167949883) is (2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide is C[C@H](O)C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1.
What is the InChIKey of (2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide?
The InChIKey is PKWLEDBLHWNCFL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9(16)13(17)15-11-4-6-12(7-5-11)20(18,19)14-8-10-2-3-10/h4-7,9-10,14,16H,2-3,8H2,1H3,(H,15,17)/t9-/m0/s1.
What are the key properties of (2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide?
(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide has a molecular weight of 298.36 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide is sourced from PubChem (CID 167949883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).