N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide

C17H22N2O3S — CID 51297905

IUPACN-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O3S/c1-3-13-18-23(21,22)16-11-9-14(10-12-16)17(20)19(2)15-7-5-4-6-8-15/h1,9-12,15,18H,4-8,13H2,2H3
InChIKeyIVVPNQGCMILPLO-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.00
Rot. Bonds5

About N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide

N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 51297905) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID51297905
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O3S/c1-3-13-18-23(21,22)16-11-9-14(10-12-16)17(20)19(2)15-7-5-4-6-8-15/h1,9-12,15,18H,4-8,13H2,2H3
InChIKeyIVVPNQGCMILPLO-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 47789881
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343
4-(azepane-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 17466659
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-cyclohexyl-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 46596766
N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 51573171
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 46418934
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855
3-[ethyl-[4-(prop-2-ynylsulfamoyl)benzoyl]amino]propanoic acid
CID 119191082
N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide
CID 17482993
4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide
CID 47128703

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide (CID 51297905) is N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is IVVPNQGCMILPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-13-18-23(21,22)16-11-9-14(10-12-16)17(20)19(2)15-7-5-4-6-8-15/h1,9-12,15,18H,4-8,13H2,2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide?
N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 334.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 51297905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).