2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide

C23H31N3O4S — CID 67420983

IUPAC2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide
SMILESCCCNS(=O)(=O)C(NC(=O)c1ccccc1OC)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C23H31N3O4S/c1-3-15-25-31(28,29)22(26-21(27)19-11-7-8-12-20(19)30-2)23(13-16-24-17-14-23)18-9-5-4-6-10-18/h4-12,22,24-25H,3,13-17H2,1-2H3,(H,26,27)
InChIKeyGYVKQWVVDPRASN-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.40
Rot. Bonds9

About 2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide

2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide (PubChem CID 67420983) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide
PubChem CID67420983
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide
SMILESCCCNS(=O)(=O)C(NC(=O)c1ccccc1OC)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C23H31N3O4S/c1-3-15-25-31(28,29)22(26-21(27)19-11-7-8-12-20(19)30-2)23(13-16-24-17-14-23)18-9-5-4-6-10-18/h4-12,22,24-25H,3,13-17H2,1-2H3,(H,26,27)
InChIKeyGYVKQWVVDPRASN-UHFFFAOYSA-N
XLogP2.40
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
CID 67504804
N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide
CID 67420764
2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
CID 67420131
N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 67420672
N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide
CID 22240946
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
(2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567724
2-methoxy-N-[2-(1-phenylcyclohexyl)ethyl]benzamide
CID 18449642
(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143653

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide?
The IUPAC name of 2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide (CID 67420983) is 2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide is CCCNS(=O)(=O)C(NC(=O)c1ccccc1OC)C1(c2ccccc2)CCNCC1.
What is the InChIKey of 2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide?
The InChIKey is GYVKQWVVDPRASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-3-15-25-31(28,29)22(26-21(27)19-11-7-8-12-20(19)30-2)23(13-16-24-17-14-23)18-9-5-4-6-10-18/h4-12,22,24-25H,3,13-17H2,1-2H3,(H,26,27).
What are the key properties of 2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide?
2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide has a molecular weight of 445.59 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide is sourced from PubChem (CID 67420983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).