(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide

C18H28ClN3O3S — CID 55939921

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CC(C)CN(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H28ClN3O3S/c1-13-10-14(2)12-22(11-13)9-8-20-18(23)15(3)21-26(24,25)17-6-4-16(19)5-7-17/h4-7,13-15,21H,8-12H2,1-3H3,(H,20,23)/t13?,14?,15-/m0/s1
InChIKeyAIJWUQKAHZWQIP-NRXISQOPSA-N
MW401.96 g/mol
LogP2.10
Rot. Bonds7

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide (PubChem CID 55939921) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide
PubChem CID55939921
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CC(C)CN(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H28ClN3O3S/c1-13-10-14(2)12-22(11-13)9-8-20-18(23)15(3)21-26(24,25)17-6-4-16(19)5-7-17/h4-7,13-15,21H,8-12H2,1-3H3,(H,20,23)/t13?,14?,15-/m0/s1
InChIKeyAIJWUQKAHZWQIP-NRXISQOPSA-N
XLogP2.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55735264
(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 47439175
N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 154872445
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
2-[(4-chlorophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide
CID 119557382
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
4-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide
CID 55723380

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide (CID 55939921) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide is CC1CC(C)CN(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is AIJWUQKAHZWQIP-NRXISQOPSA-N. The full InChI is InChI=1S/C18H28ClN3O3S/c1-13-10-14(2)12-22(11-13)9-8-20-18(23)15(3)21-26(24,25)17-6-4-16(19)5-7-17/h4-7,13-15,21H,8-12H2,1-3H3,(H,20,23)/t13?,14?,15-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 401.96 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 55939921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).