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

C18H27ClN2O3S — CID 113068149

IUPAC2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C18H27ClN2O3S/c1-25(23,24)21(17-6-4-2-3-5-7-17)13-12-20-18(22)14-15-8-10-16(19)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,20,22)
InChIKeyXRDWZWUWXKWJPY-UHFFFAOYSA-N
MW386.95 g/mol
LogP2.98
Rot. Bonds7

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

2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide (PubChem CID 113068149) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
PubChem CID113068149
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Name2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C18H27ClN2O3S/c1-25(23,24)21(17-6-4-2-3-5-7-17)13-12-20-18(22)14-15-8-10-16(19)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,20,22)
InChIKeyXRDWZWUWXKWJPY-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117
N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113140992
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113056717
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113065116
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
2-chloro-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068154
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065838
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
CID 113068123
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide
CID 113068122
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
CID 113068127

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide (CID 113068149) is 2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide is CS(=O)(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)C1CCCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide?
The InChIKey is XRDWZWUWXKWJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-25(23,24)21(17-6-4-2-3-5-7-17)13-12-20-18(22)14-15-8-10-16(19)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide has a molecular weight of 386.95 g/mol, XLogP of 2.98, 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-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide is sourced from PubChem (CID 113068149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).