2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide

C14H19ClN2O3S — CID 113065117

IUPAC2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)17(13-6-7-13)9-8-16-14(18)10-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H,16,18)
InChIKeyXZCRSJKOAPJIPR-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.42
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide

2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide (PubChem CID 113065117) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
PubChem CID113065117
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)17(13-6-7-13)9-8-16-14(18)10-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H,16,18)
InChIKeyXZCRSJKOAPJIPR-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113065116
N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113140992
2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068793
2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
CID 113068320
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113056717
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113068164
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065842
N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 989289
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136363
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
CID 113066272
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113065137

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide (CID 113065117) is 2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide is CS(=O)(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide?
The InChIKey is XZCRSJKOAPJIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-21(19,20)17(13-6-7-13)9-8-16-14(18)10-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H,16,18).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide has a molecular weight of 330.84 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide is sourced from PubChem (CID 113065117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).