N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide

C16H22N2O3S — CID 38550193

IUPACN,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(CCC)CCC)c1
InChIInChI=1S/C16H22N2O3S/c1-4-10-17-22(20,21)15-9-7-8-14(13-15)16(19)18(11-5-2)12-6-3/h1,7-9,13,17H,5-6,10-12H2,2-3H3
InChIKeyLPDDXRPYVSGPOH-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.86
Rot. Bonds8

About N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide

N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 38550193) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID38550193
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(CCC)CCC)c1
InChIInChI=1S/C16H22N2O3S/c1-4-10-17-22(20,21)15-9-7-8-14(13-15)16(19)18(11-5-2)12-6-3/h1,7-9,13,17H,5-6,10-12H2,2-3H3
InChIKeyLPDDXRPYVSGPOH-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.86
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-(furan-2-ylmethylsulfamoyl)-N,N-dipropylbenzamide
CID 109064446
N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 31741575
N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 47789881
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134041612
N-[(4-fluorophenyl)methyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 51270481
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55948886
N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 134008758
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide (CID 38550193) is N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC)CCC)c1.
What is the InChIKey of N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is LPDDXRPYVSGPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-4-10-17-22(20,21)15-9-7-8-14(13-15)16(19)18(11-5-2)12-6-3/h1,7-9,13,17H,5-6,10-12H2,2-3H3.
What are the key properties of N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide?
N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 322.43 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 38550193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).