N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide

C11H15ClN2O3S — CID 30464468

IUPACN-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-8-4-5-9(6-10(8)12)13-11(15)7-14(2)18(3,16)17/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyMIURSOPNMJKDQX-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.48
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide

N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 30464468) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID30464468
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-8-4-5-9(6-10(8)12)13-11(15)7-14(2)18(3,16)17/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyMIURSOPNMJKDQX-UHFFFAOYSA-N
XLogP1.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
N-(3,5-dichlorophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464486
N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035088
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713
N-(3,4-dichlorophenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35303305
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053
N-(3-chloro-4-methylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 20889188
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 17027740
N-(4-bromo-3-methylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 1338903
N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 99818118
N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771339
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide (CID 30464468) is N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is MIURSOPNMJKDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-8-4-5-9(6-10(8)12)13-11(15)7-14(2)18(3,16)17/h4-6H,7H2,1-3H3,(H,13,15).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 290.77 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 30464468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).