N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide

C18H29N3O3S — CID 119704175

IUPACN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CC(C)C2CCCNC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-10-20-18(22)12-15(2)16-4-3-9-19-13-16/h5-8,15-16,19,21H,3-4,9-13H2,1-2H3,(H,20,22)
InChIKeyYKCCBSCXDFNBOB-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.42
Rot. Bonds8

About N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119704175) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119704175
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CC(C)C2CCCNC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-10-20-18(22)12-15(2)16-4-3-9-19-13-16/h5-8,15-16,19,21H,3-4,9-13H2,1-2H3,(H,20,22)
InChIKeyYKCCBSCXDFNBOB-UHFFFAOYSA-N
XLogP1.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
CID 119704258
N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
CID 119755122
N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723723
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119722670
N-[2-(4-methylsulfonylphenoxy)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777473
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119723676
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide (CID 119704175) is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CC(C)C2CCCNC2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is YKCCBSCXDFNBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-10-20-18(22)12-15(2)16-4-3-9-19-13-16/h5-8,15-16,19,21H,3-4,9-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide?
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 367.52 g/mol, XLogP of 1.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119704175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).