N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide

C18H17N3O4S — CID 55837048

IUPACN-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H17N3O4S/c1-2-12-20-26(24,25)16-10-8-14(9-11-16)18(23)19-13-17(22)21-15-6-4-3-5-7-15/h1,3-11,20H,12-13H2,(H,19,23)(H,21,22)
InChIKeyRYVIOZOFZIUDTC-UHFFFAOYSA-N
MW371.42 g/mol
LogP0.97
Rot. Bonds7

About N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide

N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 55837048) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID55837048
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H17N3O4S/c1-2-12-20-26(24,25)16-10-8-14(9-11-16)18(23)19-13-17(22)21-15-6-4-3-5-7-15/h1,3-11,20H,12-13H2,(H,19,23)(H,21,22)
InChIKeyRYVIOZOFZIUDTC-UHFFFAOYSA-N
XLogP0.97
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 46418934
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 34833159
N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 112507310
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 78856021
N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 60618856
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314164
N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297156
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide (CID 55837048) is N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is RYVIOZOFZIUDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-2-12-20-26(24,25)16-10-8-14(9-11-16)18(23)19-13-17(22)21-15-6-4-3-5-7-15/h1,3-11,20H,12-13H2,(H,19,23)(H,21,22).
What are the key properties of N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide?
N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 371.42 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 55837048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).