N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide

C21H31N5O3S — CID 55625903

IUPACN-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C21H31N5O3S/c1-17(21(27)23-19-8-6-7-18(15-19)16-22)25-11-13-26(14-12-25)30(28,29)24(2)20-9-4-3-5-10-20/h6-8,15,17,20H,3-5,9-14H2,1-2H3,(H,23,27)
InChIKeyYSRGRSGNNHJLMK-UHFFFAOYSA-N
MW433.58 g/mol
LogP2.01
Rot. Bonds6

About N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide

N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide (PubChem CID 55625903) has the molecular formula C21H31N5O3S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
PubChem CID55625903
Molecular FormulaC21H31N5O3S
Molecular Weight433.58 g/mol
Exact Mass433.21
IUPAC NameN-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C21H31N5O3S/c1-17(21(27)23-19-8-6-7-18(15-19)16-22)25-11-13-26(14-12-25)30(28,29)24(2)20-9-4-3-5-10-20/h6-8,15,17,20H,3-5,9-14H2,1-2H3,(H,23,27)
InChIKeyYSRGRSGNNHJLMK-UHFFFAOYSA-N
XLogP2.01
TPSA96.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide (CID 55625903) is N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide is CC(C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide?
The InChIKey is YSRGRSGNNHJLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3S/c1-17(21(27)23-19-8-6-7-18(15-19)16-22)25-11-13-26(14-12-25)30(28,29)24(2)20-9-4-3-5-10-20/h6-8,15,17,20H,3-5,9-14H2,1-2H3,(H,23,27).
What are the key properties of N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide?
N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide has a molecular weight of 433.58 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55625903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).