(2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride

C19H24ClN3O3S — CID 119287752

IUPAC(2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C19H23N3O3S.ClH/c20-18(12-14-4-2-1-3-5-14)19(23)22-16-8-10-17(11-9-16)26(24,25)21-13-15-6-7-15;/h1-5,8-11,15,18,21H,6-7,12-13,20H2,(H,22,23);1H/t18-;/m0./s1
InChIKeyDRIRGGPIMFHTGP-FERBBOLQSA-N
MW409.94 g/mol
LogP2.31
Rot. Bonds8

About (2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119287752) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
PubChem CID119287752
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name(2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C19H23N3O3S.ClH/c20-18(12-14-4-2-1-3-5-14)19(23)22-16-8-10-17(11-9-16)26(24,25)21-13-15-6-7-15;/h1-5,8-11,15,18,21H,6-7,12-13,20H2,(H,22,23);1H/t18-;/m0./s1
InChIKeyDRIRGGPIMFHTGP-FERBBOLQSA-N
XLogP2.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
CID 167949883
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 119276864
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119276041
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
(2S)-2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-phenylpropanamide;hydrochloride
CID 119331442
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649627
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124650011
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride (CID 119287752) is (2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is DRIRGGPIMFHTGP-FERBBOLQSA-N. The full InChI is InChI=1S/C19H23N3O3S.ClH/c20-18(12-14-4-2-1-3-5-14)19(23)22-16-8-10-17(11-9-16)26(24,25)21-13-15-6-7-15;/h1-5,8-11,15,18,21H,6-7,12-13,20H2,(H,22,23);1H/t18-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119287752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).