N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide

C19H20N2O3S — CID 134041612

IUPACN-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(C)C(C)c2ccccc2)c1
InChIInChI=1S/C19H20N2O3S/c1-4-13-20-25(23,24)18-12-8-11-17(14-18)19(22)21(3)15(2)16-9-6-5-7-10-16/h1,5-12,14-15,20H,13H2,2-3H3
InChIKeyVPPYDLMFXGZUKD-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.43
Rot. Bonds6

About N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide

N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 134041612) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID134041612
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(C)C(C)c2ccccc2)c1
InChIInChI=1S/C19H20N2O3S/c1-4-13-20-25(23,24)18-12-8-11-17(14-18)19(22)21(3)15(2)16-9-6-5-7-10-16/h1,5-12,14-15,20H,13H2,2-3H3
InChIKeyVPPYDLMFXGZUKD-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.43
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-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27018001
N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 46446856
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 134003986
N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 38550193
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 32628850
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 134045496
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46691310
N-[(4-fluorophenyl)methyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 51270481
N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 47789881
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24550323
N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 134008758

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide (CID 134041612) is N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C(C)c2ccccc2)c1.
What is the InChIKey of N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is VPPYDLMFXGZUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-4-13-20-25(23,24)18-12-8-11-17(14-18)19(22)21(3)15(2)16-9-6-5-7-10-16/h1,5-12,14-15,20H,13H2,2-3H3.
What are the key properties of N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide?
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 356.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 134041612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).