N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide

C18H20ClNO3S — CID 9440257

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)N(C)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO3S/c1-14-6-8-17(9-7-14)24(22,23)11-10-18(21)20(2)13-15-4-3-5-16(19)12-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyMXUYBSCOJMAWKZ-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.47
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide

N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 9440257) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID9440257
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)N(C)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO3S/c1-14-6-8-17(9-7-14)24(22,23)11-10-18(21)20(2)13-15-4-3-5-16(19)12-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyMXUYBSCOJMAWKZ-UHFFFAOYSA-N
XLogP3.47
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide
CID 110409524
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9469734
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 31840738
3-(4-chlorophenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 9020428
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 18112539
N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide
CID 78782531
4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide
CID 8964829

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide (CID 9440257) is N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)N(C)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is MXUYBSCOJMAWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-14-6-8-17(9-7-14)24(22,23)11-10-18(21)20(2)13-15-4-3-5-16(19)12-15/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide?
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 365.88 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 9440257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).