N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide

C15H20ClNO4S — CID 110864549

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC1CCCS(=O)(=O)C1
InChIInChI=1S/C15H20ClNO4S/c1-10-6-13(14(21-2)8-12(10)16)17-15(18)7-11-4-3-5-22(19,20)9-11/h6,8,11H,3-5,7,9H2,1-2H3,(H,17,18)
InChIKeyFYUYMZLDTYKIRU-UHFFFAOYSA-N
MW345.85 g/mol
LogP2.81
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide (PubChem CID 110864549) has the molecular formula C15H20ClNO4S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide
PubChem CID110864549
Molecular FormulaC15H20ClNO4S
Molecular Weight345.85 g/mol
Exact Mass345.08
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC1CCCS(=O)(=O)C1
InChIInChI=1S/C15H20ClNO4S/c1-10-6-13(14(21-2)8-12(10)16)17-15(18)7-11-4-3-5-22(19,20)9-11/h6,8,11H,3-5,7,9H2,1-2H3,(H,17,18)
InChIKeyFYUYMZLDTYKIRU-UHFFFAOYSA-N
XLogP2.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-[(3S)-1,1-dioxothiolan-3-yl]-methylazanium
CID 9103103
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,1-dioxothiolan-3-yl)propanamide
CID 110300542
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 11913995
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 4810900
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47205603
1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 39965916
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide
CID 164642595
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119815078
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide (CID 110864549) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide?
The InChIKey is FYUYMZLDTYKIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4S/c1-10-6-13(14(21-2)8-12(10)16)17-15(18)7-11-4-3-5-22(19,20)9-11/h6,8,11H,3-5,7,9H2,1-2H3,(H,17,18).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide has a molecular weight of 345.85 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,1-dioxothian-3-yl)acetamide is sourced from PubChem (CID 110864549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).