[4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate

C15H15N3O5S — CID 70696643

IUPAC[4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H15N3O5S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyQGHXALKJWBYFLA-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.12
Rot. Bonds5

About [4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate

[4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70696643) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is [4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70696643
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name[4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H15N3O5S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyQGHXALKJWBYFLA-UHFFFAOYSA-N
XLogP2.12
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate
CID 70690387
Ethyl 4-({[4-(sulfamoyloxy)phenyl]carbamoyl}amino)benzoate
CID 70692550
[4-[(4-Benzylphenyl)carbamoylamino]phenyl] sulfamate
CID 70681984
[4-[(4-Propan-2-ylphenyl)carbamoylamino]phenyl] sulfamate
CID 70684103
[4-[(3-Acetylphenyl)carbamoylamino]phenyl] sulfamate
CID 70681985
Hdac6-IN-27
CID 162675840
S-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]ethyl] ethanethioate
CID 11704283
1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
CID 11164639
1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea
CID 11395170
1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea
CID 11395528
1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea
CID 11463318
1-[4-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]phenyl]-3-(4-methoxyphenyl)urea
CID 11774181

Frequently Asked Questions

What is the IUPAC name of [4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate (CID 70696643) is [4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate is CC(=O)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1.
What is the InChIKey of [4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is QGHXALKJWBYFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23-24(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20).
What are the key properties of [4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate?
[4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 349.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-acetylphenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70696643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).