N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide

C18H27ClN2O3S — CID 113140992

IUPACN-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C18H27ClN2O3S/c1-25(23,24)21(17-6-4-2-3-5-7-17)13-12-18(22)20-14-15-8-10-16(19)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,20,22)
InChIKeyZLQFEUOCTGSIKF-UHFFFAOYSA-N
MW386.95 g/mol
LogP3.33
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide

N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide (PubChem CID 113140992) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide
PubChem CID113140992
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C18H27ClN2O3S/c1-25(23,24)21(17-6-4-2-3-5-7-17)13-12-18(22)20-14-15-8-10-16(19)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,20,22)
InChIKeyZLQFEUOCTGSIKF-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 989289
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149
N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138109
2-[cycloheptyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113153055
2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117
3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113137508
3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136268
N-(3-chloro-4-fluorophenyl)-3-[cyclopentyl(methylsulfonyl)amino]propanamide
CID 113137304
N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459
N-butyl-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137366
N-[(4-chlorophenyl)methyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60912428
N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137374

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide (CID 113140992) is N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)NCc1ccc(Cl)cc1)C1CCCCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide?
The InChIKey is ZLQFEUOCTGSIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-25(23,24)21(17-6-4-2-3-5-7-17)13-12-18(22)20-14-15-8-10-16(19)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide?
N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide has a molecular weight of 386.95 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113140992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).