2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide

C18H20ClNO4S — CID 51276088

IUPAC2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO4S/c1-12-4-9-17(24-3)16(10-12)13(2)20-18(21)11-25(22,23)15-7-5-14(19)6-8-15/h4-10,13H,11H2,1-3H3,(H,20,21)
InChIKeyICMFOEODPSOXMW-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.31
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide

2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 51276088) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
PubChem CID51276088
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO4S/c1-12-4-9-17(24-3)16(10-12)13(2)20-18(21)11-25(22,23)15-7-5-14(19)6-8-15/h4-10,13H,11H2,1-3H3,(H,20,21)
InChIKeyICMFOEODPSOXMW-UHFFFAOYSA-N
XLogP3.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9262595
3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51220435
2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 24559842
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 8768923
3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51078699
2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262776
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide (CID 51276088) is 2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide is COc1ccc(C)cc1C(C)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The InChIKey is ICMFOEODPSOXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-12-4-9-17(24-3)16(10-12)13(2)20-18(21)11-25(22,23)15-7-5-14(19)6-8-15/h4-10,13H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide has a molecular weight of 381.88 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 51276088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).