N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide

C18H21ClN2O4S — CID 113059951

IUPACN-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C(C)=O)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-13-12-15(19)4-9-18(13)21(14(2)22)11-10-20-26(23,24)17-7-5-16(25-3)6-8-17/h4-9,12,20H,10-11H2,1-3H3
InChIKeyPTAFOQVXTFCECL-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.99
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide

N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113059951) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113059951
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C(C)=O)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-13-12-15(19)4-9-18(13)21(14(2)22)11-10-20-26(23,24)17-7-5-16(25-3)6-8-17/h4-9,12,20H,10-11H2,1-3H3
InChIKeyPTAFOQVXTFCECL-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061279
N-[2-(benzenesulfonamido)ethyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 113061278
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113127915
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113059902
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(2-ethylphenyl)acetamide
CID 113058359
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
CID 11140694
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102633
N-[2-[(4-fluoro-3-methylphenyl)sulfonylamino]ethyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113060991
ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
CID 113059937
N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 113057370

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide (CID 113059951) is N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide is COc1ccc(S(=O)(=O)NCCN(C(C)=O)c2ccc(Cl)cc2C)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is PTAFOQVXTFCECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13-12-15(19)4-9-18(13)21(14(2)22)11-10-20-26(23,24)17-7-5-16(25-3)6-8-17/h4-9,12,20H,10-11H2,1-3H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113059951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).