N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide

C20H22N2O3S — CID 31741575

IUPACN-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)N(CCC)Cc2ccccc2)cc1
InChIInChI=1S/C20H22N2O3S/c1-3-14-21-26(24,25)19-12-10-18(11-13-19)20(23)22(15-4-2)16-17-8-6-5-7-9-17/h1,5-13,21H,4,14-16H2,2H3
InChIKeyZXYVHSFPLARFPT-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.65
Rot. Bonds8

About N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide

N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 31741575) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID31741575
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)N(CCC)Cc2ccccc2)cc1
InChIInChI=1S/C20H22N2O3S/c1-3-14-21-26(24,25)19-12-10-18(11-13-19)20(23)22(15-4-2)16-17-8-6-5-7-9-17/h1,5-13,21H,4,14-16H2,2H3
InChIKeyZXYVHSFPLARFPT-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.65
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

3-[ethyl-[4-(prop-2-ynylsulfamoyl)benzoyl]amino]propanoic acid
CID 119191082
4-[(N-benzylanilino)carbamoyl]-N-prop-2-ynylbenzenesulfonamide
CID 39476642
N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 38550193
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716
N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide
CID 55754629
N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
CID 78781600
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
N,N-dipropyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060934
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 43007201
N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide
CID 78915073
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide
CID 29373491
N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide
CID 56536430

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide (CID 31741575) is N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is ZXYVHSFPLARFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-3-14-21-26(24,25)19-12-10-18(11-13-19)20(23)22(15-4-2)16-17-8-6-5-7-9-17/h1,5-13,21H,4,14-16H2,2H3.
What are the key properties of N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide?
N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 370.47 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 31741575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).