4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide

C15H23ClN2O4S — CID 100786729

IUPAC4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C15H23ClN2O4S/c1-11(2)22-9-5-8-17-15(19)12-6-7-13(16)14(10-12)18(3)23(4,20)21/h6-7,10-11H,5,8-9H2,1-4H3,(H,17,19)
InChIKeyMCEDGFWVKBOTKH-UHFFFAOYSA-N
MW362.88 g/mol
LogP2.28
Rot. Bonds8

About 4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide

4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 100786729) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is 4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID100786729
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Name4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C15H23ClN2O4S/c1-11(2)22-9-5-8-17-15(19)12-6-7-13(16)14(10-12)18(3)23(4,20)21/h6-7,10-11H,5,8-9H2,1-4H3,(H,17,19)
InChIKeyMCEDGFWVKBOTKH-UHFFFAOYSA-N
XLogP2.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide 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

4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide
CID 49014960
4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 100786469
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991605
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 50945543
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786498
4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786584
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 26861334
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 19061986

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide (CID 100786729) is 4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is MCEDGFWVKBOTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S/c1-11(2)22-9-5-8-17-15(19)12-6-7-13(16)14(10-12)18(3)23(4,20)21/h6-7,10-11H,5,8-9H2,1-4H3,(H,17,19).
What are the key properties of 4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide?
4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 362.88 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 100786729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).