N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide

C14H19ClN2O3S — CID 18124417

IUPACN-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C14H19ClN2O3S/c1-10-7-11(15)3-4-12(10)17-13(18)8-16-14(2)5-6-21(19,20)9-14/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyNAJJMLMIDBULMY-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.75
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide

N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide (PubChem CID 18124417) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
PubChem CID18124417
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C14H19ClN2O3S/c1-10-7-11(15)3-4-12(10)17-13(18)8-16-14(2)5-6-21(19,20)9-14/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyNAJJMLMIDBULMY-UHFFFAOYSA-N
XLogP1.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide
CID 41411938
N-(4-bromophenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 60655415
N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 18192854
2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 95284133
2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide
CID 60720147
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423637
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 8591193
2-(4-chlorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7816357
N-[(3-chloro-4-fluorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 81145602

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide (CID 18124417) is N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide is Cc1cc(Cl)ccc1NC(=O)CNC1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide?
The InChIKey is NAJJMLMIDBULMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-10-7-11(15)3-4-12(10)17-13(18)8-16-14(2)5-6-21(19,20)9-14/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide?
N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide has a molecular weight of 330.84 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide is sourced from PubChem (CID 18124417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).