N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide

C19H23ClN2O4S — CID 9182964

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-14-4-7-17(8-5-14)27(24,25)21-11-10-19(23)22(2)13-15-12-16(20)6-9-18(15)26-3/h4-9,12,21H,10-11,13H2,1-3H3
InChIKeyBFTNINIDSSYJCQ-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.98
Rot. Bonds8

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 9182964) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID9182964
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-14-4-7-17(8-5-14)27(24,25)21-11-10-19(23)22(2)13-15-12-16(20)6-9-18(15)26-3/h4-9,12,21H,10-11,13H2,1-3H3
InChIKeyBFTNINIDSSYJCQ-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 55772389
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46598912
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 24660216
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9469734
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602596
N-[3-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylbenzamide
CID 9183634
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 31327075
N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 55347838
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 33164457
4-(ethylsulfamoyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 9469873
3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide
CID 18590758

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 9182964) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide is COc1ccc(Cl)cc1CN(C)C(=O)CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is BFTNINIDSSYJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-14-4-7-17(8-5-14)27(24,25)21-11-10-19(23)22(2)13-15-12-16(20)6-9-18(15)26-3/h4-9,12,21H,10-11,13H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 410.92 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 9182964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).