N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide

C26H35N3O4S — CID 55798853

IUPACN-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C26H35N3O4S/c1-5-17-34(32,33)29-16-8-9-20(18-29)25(31)28-23-11-7-6-10-22(23)27-24(30)19-12-14-21(15-13-19)26(2,3)4/h6-7,10-15,20H,5,8-9,16-18H2,1-4H3,(H,27,30)(H,28,31)
InChIKeySHWFGXYYYYFNEP-UHFFFAOYSA-N
MW485.65 g/mol
LogP4.63
Rot. Bonds7

About N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55798853) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55798853
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC NameN-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C26H35N3O4S/c1-5-17-34(32,33)29-16-8-9-20(18-29)25(31)28-23-11-7-6-10-22(23)27-24(30)19-12-14-21(15-13-19)26(2,3)4/h6-7,10-15,20H,5,8-9,16-18H2,1-4H3,(H,27,30)(H,28,31)
InChIKeySHWFGXYYYYFNEP-UHFFFAOYSA-N
XLogP4.63
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647082
N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 56522619
1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618
(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51955455
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-carbamimidoylpiperidine-3-carboxamide
CID 11796459
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
(3S)-1-(benzenesulfonyl)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 100660090
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98679681
N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide
CID 42959145
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 55798853) is N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is SHWFGXYYYYFNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-5-17-34(32,33)29-16-8-9-20(18-29)25(31)28-23-11-7-6-10-22(23)27-24(30)19-12-14-21(15-13-19)26(2,3)4/h6-7,10-15,20H,5,8-9,16-18H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 485.65 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55798853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).