1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea

C16H17N3O4S — CID 108875225

IUPAC1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C16H17N3O4S/c1-11(20)12-3-5-13(6-4-12)17-16(21)18-14-7-9-15(10-8-14)19-24(2,22)23/h3-10,19H,1-2H3,(H2,17,18,21)
InChIKeyLDDGWRSGYYMJAK-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.90
Rot. Bonds5

About 1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea

1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea (PubChem CID 108875225) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
PubChem CID108875225
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C16H17N3O4S/c1-11(20)12-3-5-13(6-4-12)17-16(21)18-14-7-9-15(10-8-14)19-24(2,22)23/h3-10,19H,1-2H3,(H2,17,18,21)
InChIKeyLDDGWRSGYYMJAK-UHFFFAOYSA-N
XLogP2.90
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride
CID 2756280
1-(4-acetylphenyl)-3-[2-(methanesulfonamido)ethyl]urea
CID 47022405
4-amino-N-[[4-(methanesulfonamido)phenyl]carbamoyl]benzamide
CID 108875346
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875136
1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone
CID 12781230
1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895413
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea (CID 108875225) is 1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea is CC(=O)c1ccc(NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea?
The InChIKey is LDDGWRSGYYMJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-11(20)12-3-5-13(6-4-12)17-16(21)18-14-7-9-15(10-8-14)19-24(2,22)23/h3-10,19H,1-2H3,(H2,17,18,21).
What are the key properties of 1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea?
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea has a molecular weight of 347.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea is sourced from PubChem (CID 108875225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).