N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide

C23H29N3O4S — CID 108564764

IUPACN-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C23H29N3O4S/c1-16(2)17-4-6-18(7-5-17)22(27)24-20-12-14-26(15-13-20)23(28)19-8-10-21(11-9-19)25-31(3,29)30/h4-11,16,20,25H,12-15H2,1-3H3,(H,24,27)
InChIKeyMHIYZGXQTCRPMF-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.22
Rot. Bonds6

About N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide

N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide (PubChem CID 108564764) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
PubChem CID108564764
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C23H29N3O4S/c1-16(2)17-4-6-18(7-5-17)22(27)24-20-12-14-26(15-13-20)23(28)19-8-10-21(11-9-19)25-31(3,29)30/h4-11,16,20,25H,12-15H2,1-3H3,(H,24,27)
InChIKeyMHIYZGXQTCRPMF-UHFFFAOYSA-N
XLogP3.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
CID 108561415
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
4-[[4-(methanesulfonamido)benzoyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560518
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554693
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide
CID 108560513
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557729
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 110820463
N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 60956881
N-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 115966226

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide (CID 108564764) is N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide?
The InChIKey is MHIYZGXQTCRPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16(2)17-4-6-18(7-5-17)22(27)24-20-12-14-26(15-13-20)23(28)19-8-10-21(11-9-19)25-31(3,29)30/h4-11,16,20,25H,12-15H2,1-3H3,(H,24,27).
What are the key properties of N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide?
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide has a molecular weight of 443.57 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 108564764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).