N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide

C30H32Cl2N2O4S — CID 43916601

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)CC3)c2)cc1
InChIInChI=1S/C30H32Cl2N2O4S/c1-30(2,3)24-10-8-21(9-11-24)28(35)23-5-4-6-25(18-23)33-29(36)22-13-15-34(16-14-22)39(37,38)19-20-7-12-26(31)27(32)17-20/h4-12,17-18,22H,13-16,19H2,1-3H3,(H,33,36)
InChIKeyBJHAQWYCJRJOBZ-UHFFFAOYSA-N
MW587.57 g/mol
LogP6.70
Rot. Bonds7

About N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide

N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 43916601) has the molecular formula C30H32Cl2N2O4S and a molecular weight of 587.57 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID43916601
Molecular FormulaC30H32Cl2N2O4S
Molecular Weight587.57 g/mol
Exact Mass586.15
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)CC3)c2)cc1
InChIInChI=1S/C30H32Cl2N2O4S/c1-30(2,3)24-10-8-21(9-11-24)28(35)23-5-4-6-25(18-23)33-29(36)22-13-15-34(16-14-22)39(37,38)19-20-7-12-26(31)27(32)17-20/h4-12,17-18,22H,13-16,19H2,1-3H3,(H,33,36)
InChIKeyBJHAQWYCJRJOBZ-UHFFFAOYSA-N
XLogP6.70
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.57
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-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-[3-(4-tert-butylbenzoyl)phenyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 99943045
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 43876576
N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53284068
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43909270
methyl 3-[[1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 43909281
N-[3-(4-tert-butylbenzoyl)phenyl]-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 99951227
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 43885429
1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 1003994
N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642430
N-(3-chloro-4-methylphenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642585
N-(4-acetamidophenyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 38013728
ethyl 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 92683990

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide (CID 43916601) is N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide is CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)CC3)c2)cc1.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is BJHAQWYCJRJOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N2O4S/c1-30(2,3)24-10-8-21(9-11-24)28(35)23-5-4-6-25(18-23)33-29(36)22-13-15-34(16-14-22)39(37,38)19-20-7-12-26(31)27(32)17-20/h4-12,17-18,22H,13-16,19H2,1-3H3,(H,33,36).
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 587.57 g/mol, XLogP of 6.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 43916601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).