N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

C24H29N3O5S — CID 55608281

IUPACN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C24H29N3O5S/c1-32-22-12-11-20(33(30,31)26-19-9-10-19)15-21(22)25-24(29)18-8-5-13-27(16-18)23(28)14-17-6-3-2-4-7-17/h2-4,6-7,11-12,15,18-19,26H,5,8-10,13-14,16H2,1H3,(H,25,29)
InChIKeyBXEMCRXSNODBAO-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.56
Rot. Bonds8

About N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55608281) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55608281
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C24H29N3O5S/c1-32-22-12-11-20(33(30,31)26-19-9-10-19)15-21(22)25-24(29)18-8-5-13-27(16-18)23(28)14-17-6-3-2-4-7-17/h2-4,6-7,11-12,15,18-19,26H,5,8-10,13-14,16H2,1H3,(H,25,29)
InChIKeyBXEMCRXSNODBAO-UHFFFAOYSA-N
XLogP2.56
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 55738275
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 42649593
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55671038
N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407957
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43054001
1-benzylsulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 50809020
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55608281) is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is BXEMCRXSNODBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-32-22-12-11-20(33(30,31)26-19-9-10-19)15-21(22)25-24(29)18-8-5-13-27(16-18)23(28)14-17-6-3-2-4-7-17/h2-4,6-7,11-12,15,18-19,26H,5,8-10,13-14,16H2,1H3,(H,25,29).
What are the key properties of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55608281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).