N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide

C19H19ClN2O3S — CID 134003986

IUPACN-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)N(C)C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O3S/c1-4-13-21-26(24,25)18-11-7-16(8-12-18)19(23)22(3)14(2)15-5-9-17(20)10-6-15/h1,5-12,14,21H,13H2,2-3H3
InChIKeyACFBGWAOUGQNNX-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.08
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide

N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 134003986) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID134003986
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)N(C)C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O3S/c1-4-13-21-26(24,25)18-11-7-16(8-12-18)19(23)22(3)14(2)15-5-9-17(20)10-6-15/h1,5-12,14,21H,13H2,2-3H3
InChIKeyACFBGWAOUGQNNX-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.08
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-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134041612
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46580547
N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313792
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46598912
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 134054323
N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 78856021
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 25480917
N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297905
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide (CID 134003986) is N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is ACFBGWAOUGQNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-4-13-21-26(24,25)18-11-7-16(8-12-18)19(23)22(3)14(2)15-5-9-17(20)10-6-15/h1,5-12,14,21H,13H2,2-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide?
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 390.89 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 134003986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).