2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide

C18H20ClNO3S — CID 86923050

IUPAC2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)C(C)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C18H20ClNO3S/c1-13-7-3-4-8-15(13)11-20-18(21)14(2)24(22,23)12-16-9-5-6-10-17(16)19/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyVQRRKUINECZXPY-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.27
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide

2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 86923050) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide
PubChem CID86923050
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)C(C)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C18H20ClNO3S/c1-13-7-3-4-8-15(13)11-20-18(21)14(2)24(22,23)12-16-9-5-6-10-17(16)19/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyVQRRKUINECZXPY-UHFFFAOYSA-N
XLogP3.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 42961400
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
(2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide
CID 51946927
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 99132986
N'-(2-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174333
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 86923009
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide (CID 86923050) is 2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)C(C)S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is VQRRKUINECZXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-13-7-3-4-8-15(13)11-20-18(21)14(2)24(22,23)12-16-9-5-6-10-17(16)19/h3-10,14H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide?
2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 365.88 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 86923050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).