4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide

C22H27N3O5S — CID 108551873

IUPAC4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-3-30-20-10-6-16(7-11-20)21(26)23-18-12-14-25(15-13-18)22(27)17-4-8-19(9-5-17)24-31(2,28)29/h4-11,18,24H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyUPUBKOGRHJIJBI-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.49
Rot. Bonds7

About 4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide

4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide (PubChem CID 108551873) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
PubChem CID108551873
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-3-30-20-10-6-16(7-11-20)21(26)23-18-12-14-25(15-13-18)22(27)17-4-8-19(9-5-17)24-31(2,28)29/h4-11,18,24H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyUPUBKOGRHJIJBI-UHFFFAOYSA-N
XLogP2.49
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564764
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557729
4-[[4-(methanesulfonamido)benzoyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560518
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide
CID 108560513
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554693
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide (CID 108551873) is 4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide is CCOc1ccc(C(=O)NC2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide?
The InChIKey is UPUBKOGRHJIJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-3-30-20-10-6-16(7-11-20)21(26)23-18-12-14-25(15-13-18)22(27)17-4-8-19(9-5-17)24-31(2,28)29/h4-11,18,24H,3,12-15H2,1-2H3,(H,23,26).
What are the key properties of 4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide?
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108551873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).