N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide

C21H27N3O4S — CID 9427293

IUPACN-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-15(2)24-29(27,28)19-11-9-18(10-12-19)21(26)23-14-20(25)22-13-16(3)17-7-5-4-6-8-17/h4-12,15-16,24H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t16-/m0/s1
InChIKeyAFUKSZRDNQYJJS-INIZCTEOSA-N
MW417.53 g/mol
LogP2.02
Rot. Bonds9

About N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide

N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 9427293) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID9427293
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-15(2)24-29(27,28)19-11-9-18(10-12-19)21(26)23-14-20(25)22-13-16(3)17-7-5-4-6-8-17/h4-12,15-16,24H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t16-/m0/s1
InChIKeyAFUKSZRDNQYJJS-INIZCTEOSA-N
XLogP2.02
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9032480
4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
2-methyl-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119237016
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9038896

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide (CID 9427293) is N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NC[C@H](C)c2ccccc2)cc1.
What is the InChIKey of N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is AFUKSZRDNQYJJS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-15(2)24-29(27,28)19-11-9-18(10-12-19)21(26)23-14-20(25)22-13-16(3)17-7-5-4-6-8-17/h4-12,15-16,24H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t16-/m0/s1.
What are the key properties of N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide?
N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 9427293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).