N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide

C15H17N3O4S — CID 46418934

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)NC2CC2)cc1
InChIInChI=1S/C15H17N3O4S/c1-2-9-17-23(21,22)13-7-3-11(4-8-13)15(20)16-10-14(19)18-12-5-6-12/h1,3-4,7-8,12,17H,5-6,9-10H2,(H,16,20)(H,18,19)
InChIKeyMCWLBSBQVAKZNJ-UHFFFAOYSA-N
MW335.39 g/mol
LogP-0.39
Rot. Bonds7

About N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide

N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 46418934) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID46418934
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)NC2CC2)cc1
InChIInChI=1S/C15H17N3O4S/c1-2-9-17-23(21,22)13-7-3-11(4-8-13)15(20)16-10-14(19)18-12-5-6-12/h1,3-4,7-8,12,17H,5-6,9-10H2,(H,16,20)(H,18,19)
InChIKeyMCWLBSBQVAKZNJ-UHFFFAOYSA-N
XLogP-0.39
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 5-0.39
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-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 55837048
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 78856021
N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855
2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 43568529
N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313792
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297905
4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide
CID 110877644
4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24692664
4-(prop-2-ynylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 33322312
N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33318428
N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51334368

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide (CID 46418934) is N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)NC2CC2)cc1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is MCWLBSBQVAKZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-2-9-17-23(21,22)13-7-3-11(4-8-13)15(20)16-10-14(19)18-12-5-6-12/h1,3-4,7-8,12,17H,5-6,9-10H2,(H,16,20)(H,18,19).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 335.39 g/mol, XLogP of -0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 46418934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).