N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide

C12H18ClN3O3S — CID 110625391

IUPACN-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide
SMILESCC(C)NS(=O)(=O)NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN3O3S/c1-9(2)16-20(18,19)15-8-12(17)14-7-10-3-5-11(13)6-4-10/h3-6,9,15-16H,7-8H2,1-2H3,(H,14,17)
InChIKeyFLCUXHKLAVPBDH-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.79
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide

N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide (PubChem CID 110625391) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide
PubChem CID110625391
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide
SMILESCC(C)NS(=O)(=O)NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN3O3S/c1-9(2)16-20(18,19)15-8-12(17)14-7-10-3-5-11(13)6-4-10/h3-6,9,15-16H,7-8H2,1-2H3,(H,14,17)
InChIKeyFLCUXHKLAVPBDH-UHFFFAOYSA-N
XLogP0.79
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide 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

N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylsulfonylamino]acetamide
CID 110285326
N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 110285291
(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 83193742
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 110285339
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 112992700
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902
N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376233
2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 87013552
N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide
CID 47207530
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
CID 110625359

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide (CID 110625391) is N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide is CC(C)NS(=O)(=O)NCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide?
The InChIKey is FLCUXHKLAVPBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-9(2)16-20(18,19)15-8-12(17)14-7-10-3-5-11(13)6-4-10/h3-6,9,15-16H,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide has a molecular weight of 319.81 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide is sourced from PubChem (CID 110625391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).