N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide

C19H29N3O4S — CID 108560513

IUPACN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide
SMILESCC(C)(C)CC(=O)N1CCC(NC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C19H29N3O4S/c1-19(2,3)13-17(23)22-11-9-15(10-12-22)20-18(24)14-5-7-16(8-6-14)21-27(4,25)26/h5-8,15,21H,9-13H2,1-4H3,(H,20,24)
InChIKeyHEOMBKHPORQOLR-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.22
Rot. Bonds5

About N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide (PubChem CID 108560513) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide
PubChem CID108560513
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide
SMILESCC(C)(C)CC(=O)N1CCC(NC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C19H29N3O4S/c1-19(2,3)13-17(23)22-11-9-15(10-12-22)20-18(24)14-5-7-16(8-6-14)21-27(4,25)26/h5-8,15,21H,9-13H2,1-4H3,(H,20,24)
InChIKeyHEOMBKHPORQOLR-UHFFFAOYSA-N
XLogP2.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide 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

4-[[4-(methanesulfonamido)benzoyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560518
3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 108559223
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564764
N-[1-[(E)-3-[4-(methanesulfonamido)phenyl]prop-2-enoyl]piperidin-4-yl]benzamide
CID 30297359
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822238
3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 110822294
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110822246
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554693
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557729
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide (CID 108560513) is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide is CC(C)(C)CC(=O)N1CCC(NC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide?
The InChIKey is HEOMBKHPORQOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-19(2,3)13-17(23)22-11-9-15(10-12-22)20-18(24)14-5-7-16(8-6-14)21-27(4,25)26/h5-8,15,21H,9-13H2,1-4H3,(H,20,24).
What are the key properties of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide?
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide has a molecular weight of 395.53 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 108560513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).