N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide

C21H28N2O3S — CID 26531464

IUPACN-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide
SMILESCCCc1ccc([C@@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-6-17-7-9-18(10-8-17)21(15(2)3)23-27(25,26)20-13-11-19(12-14-20)22-16(4)24/h7-15,21,23H,5-6H2,1-4H3,(H,22,24)/t21-/m0/s1
InChIKeyBDXAZMSIXUBEBB-NRFANRHFSA-N
MW388.53 g/mol
LogP4.27
Rot. Bonds8

About N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide

N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide (PubChem CID 26531464) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide
PubChem CID26531464
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide
SMILESCCCc1ccc([C@@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-6-17-7-9-18(10-8-17)21(15(2)3)23-27(25,26)20-13-11-19(12-14-20)22-16(4)24/h7-15,21,23H,5-6H2,1-4H3,(H,22,24)/t21-/m0/s1
InChIKeyBDXAZMSIXUBEBB-NRFANRHFSA-N
XLogP4.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8970456
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium
CID 8970393
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
N-[4-[1-(4-propan-2-ylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 22201175
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-(4-propylphenyl)benzamide
CID 9294142
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide
CID 8992097
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide (CID 26531464) is N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide is CCCc1ccc([C@@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(C)C)cc1.
What is the InChIKey of N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide?
The InChIKey is BDXAZMSIXUBEBB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-6-17-7-9-18(10-8-17)21(15(2)3)23-27(25,26)20-13-11-19(12-14-20)22-16(4)24/h7-15,21,23H,5-6H2,1-4H3,(H,22,24)/t21-/m0/s1.
What are the key properties of N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide?
N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide has a molecular weight of 388.53 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 26531464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).