N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide

C18H21ClN2O4S — CID 113054992

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CN(CCNS(=O)(=O)c1cccc(Cl)c1)C(C)=O
InChIInChI=1S/C18H21ClN2O4S/c1-14(22)21(13-15-6-3-4-9-18(15)25-2)11-10-20-26(23,24)17-8-5-7-16(19)12-17/h3-9,12,20H,10-11,13H2,1-2H3
InChIKeyVPOADIPUPBUWLA-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.68
Rot. Bonds8

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 113054992) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID113054992
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CN(CCNS(=O)(=O)c1cccc(Cl)c1)C(C)=O
InChIInChI=1S/C18H21ClN2O4S/c1-14(22)21(13-15-6-3-4-9-18(15)25-2)11-10-20-26(23,24)17-8-5-7-16(19)12-17/h3-9,12,20H,10-11,13H2,1-2H3
InChIKeyVPOADIPUPBUWLA-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054972
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055400
N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054971
N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054618
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113054619
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113119813
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide
CID 113054757
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-[(2-methylphenyl)methyl]acetamide
CID 113054180
N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052480
(5-acetyl-2-methoxyphenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035641
3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
CID 31443271
N-[2-(3-chlorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113057110

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 113054992) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CN(CCNS(=O)(=O)c1cccc(Cl)c1)C(C)=O.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is VPOADIPUPBUWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-14(22)21(13-15-6-3-4-9-18(15)25-2)11-10-20-26(23,24)17-8-5-7-16(19)12-17/h3-9,12,20H,10-11,13H2,1-2H3.
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113054992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).