N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide

C16H19N3O4S2 — CID 48529738

IUPACN,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)C(C)NS(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C16H19N3O4S2/c1-10-12(16(21)17-3)6-4-7-13(10)18-15(20)11(2)19-25(22,23)14-8-5-9-24-14/h4-9,11,19H,1-3H3,(H,17,21)(H,18,20)
InChIKeyIHKDXGYWHUPDGT-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.72
Rot. Bonds6

About N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide

N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide (PubChem CID 48529738) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
PubChem CID48529738
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC NameN,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)C(C)NS(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C16H19N3O4S2/c1-10-12(16(21)17-3)6-4-7-13(10)18-15(20)11(2)19-25(22,23)14-8-5-9-24-14/h4-9,11,19H,1-3H3,(H,17,21)(H,18,20)
InChIKeyIHKDXGYWHUPDGT-UHFFFAOYSA-N
XLogP1.72
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 110601235
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55645413
2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide
CID 55909819
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22427317
(2R)-N-(1H-pyrazol-5-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 95280952
N,2-dimethyl-3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
CID 55677311
N-(1-methylpyrazol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 47321746
N-[2-methyl-3-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 131905924
N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide
CID 43734480
N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22430597

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide?
The IUPAC name of N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide (CID 48529738) is N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide is CNC(=O)c1cccc(NC(=O)C(C)NS(=O)(=O)c2cccs2)c1C.
What is the InChIKey of N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide?
The InChIKey is IHKDXGYWHUPDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-10-12(16(21)17-3)6-4-7-13(10)18-15(20)11(2)19-25(22,23)14-8-5-9-24-14/h4-9,11,19H,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide?
N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide has a molecular weight of 381.48 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide is sourced from PubChem (CID 48529738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).