N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide

C14H16N2O4S2 — CID 78896710

IUPACN-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(CO)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H16N2O4S2/c1-10(9-17)15-14(18)11-4-2-5-12(8-11)16-22(19,20)13-6-3-7-21-13/h2-8,10,16-17H,9H2,1H3,(H,15,18)
InChIKeyPEXPZFPPHBKNNV-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.66
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide

N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 78896710) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID78896710
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC NameN-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(CO)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H16N2O4S2/c1-10(9-17)15-14(18)11-4-2-5-12(8-11)16-22(19,20)13-6-3-7-21-13/h2-8,10,16-17H,9H2,1H3,(H,15,18)
InChIKeyPEXPZFPPHBKNNV-UHFFFAOYSA-N
XLogP1.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119667025
N-(1-hydroxypropan-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 78856474
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 46515976
N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 119583489
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46489998
N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55989925
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55909095

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide (CID 78896710) is N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide is CC(CO)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is PEXPZFPPHBKNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-10(9-17)15-14(18)11-4-2-5-12(8-11)16-22(19,20)13-6-3-7-21-13/h2-8,10,16-17H,9H2,1H3,(H,15,18).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 340.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 78896710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).