1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide

C21H25N3O4S — CID 55626981

IUPAC1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(CS(N)(=O)=O)cc3)C2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15-4-8-17(9-5-15)21(26)24-12-2-3-18(13-24)20(25)23-19-10-6-16(7-11-19)14-29(22,27)28/h4-11,18H,2-3,12-14H2,1H3,(H,23,25)(H2,22,27,28)
InChIKeyAKFAVKSKJOXRFA-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.27
Rot. Bonds5

About 1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide

1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide (PubChem CID 55626981) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide
PubChem CID55626981
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(CS(N)(=O)=O)cc3)C2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15-4-8-17(9-5-15)21(26)24-12-2-3-18(13-24)20(25)23-19-10-6-16(7-11-19)14-29(22,27)28/h4-11,18H,2-3,12-14H2,1H3,(H,23,25)(H2,22,27,28)
InChIKeyAKFAVKSKJOXRFA-UHFFFAOYSA-N
XLogP2.27
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
1-(4-methylbenzoyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55970448
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
N-[4-(dimethylamino)-3-methylphenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55652132
(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082527
(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 25401110

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide (CID 55626981) is 1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(CS(N)(=O)=O)cc3)C2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is AKFAVKSKJOXRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15-4-8-17(9-5-15)21(26)24-12-2-3-18(13-24)20(25)23-19-10-6-16(7-11-19)14-29(22,27)28/h4-11,18H,2-3,12-14H2,1H3,(H,23,25)(H2,22,27,28).
What are the key properties of 1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide?
1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55626981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).