N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide

C22H31N3O4S — CID 55690965

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C22H31N3O4S/c26-21(17-7-4-8-20(15-17)30(28,29)24-19-9-10-19)23-18-11-13-25(14-12-18)22(27)16-5-2-1-3-6-16/h4,7-8,15-16,18-19,24H,1-3,5-6,9-14H2,(H,23,26)
InChIKeyDVVPUKRBBXTXGI-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.43
Rot. Bonds6

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 55690965) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide
PubChem CID55690965
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C22H31N3O4S/c26-21(17-7-4-8-20(15-17)30(28,29)24-19-9-10-19)23-18-11-13-25(14-12-18)22(27)16-5-2-1-3-6-16/h4,7-8,15-16,18-19,24H,1-3,5-6,9-14H2,(H,23,26)
InChIKeyDVVPUKRBBXTXGI-UHFFFAOYSA-N
XLogP2.43
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 46540127
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 108553808
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354621
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfamoyl]benzoic acid
CID 53255861

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide (CID 55690965) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide is O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is DVVPUKRBBXTXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c26-21(17-7-4-8-20(15-17)30(28,29)24-19-9-10-19)23-18-11-13-25(14-12-18)22(27)16-5-2-1-3-6-16/h4,7-8,15-16,18-19,24H,1-3,5-6,9-14H2,(H,23,26).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 433.57 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 55690965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).