N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide

C20H25NO4S — CID 110298456

IUPACN-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
SMILESCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C20H25NO4S/c1-14(2)25-17-8-10-18(11-9-17)26(23,24)13-12-20(22)21-19-7-5-6-15(3)16(19)4/h5-11,14H,12-13H2,1-4H3,(H,21,22)
InChIKeyBNAIDFQSOBYSFU-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.89
Rot. Bonds7

About N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide

N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide (PubChem CID 110298456) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
PubChem CID110298456
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
SMILESCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C20H25NO4S/c1-14(2)25-17-8-10-18(11-9-17)26(23,24)13-12-20(22)21-19-7-5-6-15(3)16(19)4/h5-11,14H,12-13H2,1-4H3,(H,21,22)
InChIKeyBNAIDFQSOBYSFU-UHFFFAOYSA-N
XLogP3.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide 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-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298469
4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide
CID 41273173
N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298461
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324012
N-(2,3-dimethylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26538586
N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298420
N-(2,3-dimethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126140739
N-(2,3-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 8899667
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 2547725
3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110301624
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide (CID 110298456) is N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide is Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc(OC(C)C)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
The InChIKey is BNAIDFQSOBYSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-14(2)25-17-8-10-18(11-9-17)26(23,24)13-12-20(22)21-19-7-5-6-15(3)16(19)4/h5-11,14H,12-13H2,1-4H3,(H,21,22).
What are the key properties of N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide has a molecular weight of 375.49 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 110298456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).