3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

C18H27ClN2O3S — CID 15996431

IUPAC3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCCCN1CCNC(=O)CCS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O3S/c1-15-4-2-3-11-21(15)12-10-20-18(22)9-13-25(23,24)14-16-5-7-17(19)8-6-16/h5-8,15H,2-4,9-14H2,1H3,(H,20,22)
InChIKeyWUIULEDNJOYYAL-UHFFFAOYSA-N
MW386.95 g/mol
LogP2.64
Rot. Bonds8

About 3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 15996431) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID15996431
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Name3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCCCN1CCNC(=O)CCS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O3S/c1-15-4-2-3-11-21(15)12-10-20-18(22)9-13-25(23,24)14-16-5-7-17(19)8-6-16/h5-8,15H,2-4,9-14H2,1H3,(H,20,22)
InChIKeyWUIULEDNJOYYAL-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 50768018
3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide
CID 5058061
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 55723525
3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 78876057
3-(4-chlorophenyl)-4-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215551
1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62617497
3-[(4-chlorophenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-oxo-2-sulfanylidene-4aH-quinazoline-7-carboxamide
CID 73453170
1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 9473017
3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide
CID 47036264
2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387400
4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide
CID 21230989

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (CID 15996431) is 3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is CC1CCCCN1CCNC(=O)CCS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is WUIULEDNJOYYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-15-4-2-3-11-21(15)12-10-20-18(22)9-13-25(23,24)14-16-5-7-17(19)8-6-16/h5-8,15H,2-4,9-14H2,1H3,(H,20,22).
What are the key properties of 3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 386.95 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 15996431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).