N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide

C18H22N2O3S — CID 22201131

IUPACN-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
SMILESCCC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-18(15-7-5-13(2)6-8-15)20-24(22,23)17-11-9-16(10-12-17)19-14(3)21/h5-12,18,20H,4H2,1-3H3,(H,19,21)
InChIKeyILTBRAYLHKFDBJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.38
Rot. Bonds6

About N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide

N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide (PubChem CID 22201131) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
PubChem CID22201131
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
SMILESCCC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-18(15-7-5-13(2)6-8-15)20-24(22,23)17-11-9-16(10-12-17)19-14(3)21/h5-12,18,20H,4H2,1-3H3,(H,19,21)
InChIKeyILTBRAYLHKFDBJ-UHFFFAOYSA-N
XLogP3.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 2459105
N-[4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]sulfamoyl]phenyl]acetamide
CID 8844418
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9296718
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate
CID 7448572
N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61247679
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid
CID 7044809
2-ethyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 1291155

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide (CID 22201131) is N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide is CCC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1.
What is the InChIKey of N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide?
The InChIKey is ILTBRAYLHKFDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-18(15-7-5-13(2)6-8-15)20-24(22,23)17-11-9-16(10-12-17)19-14(3)21/h5-12,18,20H,4H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide?
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22201131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).