N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride

C17H28ClN3O3S — CID 119711254

IUPACN-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(NC(=O)CC(C)C2CCCNC2)cc1NS(C)(=O)=O.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-12-6-7-15(10-16(12)20-24(3,22)23)19-17(21)9-13(2)14-5-4-8-18-11-14;/h6-7,10,13-14,18,20H,4-5,8-9,11H2,1-3H3,(H,19,21);1H
InChIKeyHSUHMLOHCFSWJS-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.75
Rot. Bonds6

About N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119711254) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119711254
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(NC(=O)CC(C)C2CCCNC2)cc1NS(C)(=O)=O.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-12-6-7-15(10-16(12)20-24(3,22)23)19-17(21)9-13(2)14-5-4-8-18-11-14;/h6-7,10,13-14,18,20H,4-5,8-9,11H2,1-3H3,(H,19,21);1H
InChIKeyHSUHMLOHCFSWJS-UHFFFAOYSA-N
XLogP2.75
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119702961
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119725834
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119714058

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119711254) is N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride is Cc1ccc(NC(=O)CC(C)C2CCCNC2)cc1NS(C)(=O)=O.Cl.
What is the InChIKey of N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is HSUHMLOHCFSWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-12-6-7-15(10-16(12)20-24(3,22)23)19-17(21)9-13(2)14-5-4-8-18-11-14;/h6-7,10,13-14,18,20H,4-5,8-9,11H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119711254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).