N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide

C20H20N2O3S — CID 51334368

IUPACN-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H20N2O3S/c1-2-14-21-26(24,25)18-12-10-17(11-13-18)20(23)22-19(16-8-9-16)15-6-4-3-5-7-15/h1,3-7,10-13,16,19,21H,8-9,14H2,(H,22,23)
InChIKeyHNKDRCMIBNWOKL-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.48
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide

N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 51334368) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID51334368
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H20N2O3S/c1-2-14-21-26(24,25)18-12-10-17(11-13-18)20(23)22-19(16-8-9-16)15-6-4-3-5-7-15/h1,3-7,10-13,16,19,21H,8-9,14H2,(H,22,23)
InChIKeyHNKDRCMIBNWOKL-UHFFFAOYSA-N
XLogP2.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297156
N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855
N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46516145
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 60551693
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 25480917
4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
CID 102850932
3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46539927
5-(benzylsulfamoyl)-N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 42937358
5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 31514219
N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55690038
N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 46513510

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide (CID 51334368) is N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is HNKDRCMIBNWOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-2-14-21-26(24,25)18-12-10-17(11-13-18)20(23)22-19(16-8-9-16)15-6-4-3-5-7-15/h1,3-7,10-13,16,19,21H,8-9,14H2,(H,22,23).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 368.46 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 51334368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).