N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide

C19H24N2O5S3 — CID 55984153

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCCCN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24N2O5S3/c1-2-3-11-21(17-10-13-28(23,24)14-17)19(22)15-6-8-16(9-7-15)20-29(25,26)18-5-4-12-27-18/h4-9,12,17,20H,2-3,10-11,13-14H2,1H3
InChIKeyCGROVQDZRUNESI-UHFFFAOYSA-N
MW456.61 g/mol
LogP2.98
Rot. Bonds8

About N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide

N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55984153) has the molecular formula C19H24N2O5S3 and a molecular weight of 456.61 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55984153
Molecular FormulaC19H24N2O5S3
Molecular Weight456.61 g/mol
Exact Mass456.08
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCCCN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24N2O5S3/c1-2-3-11-21(17-10-13-28(23,24)14-17)19(22)15-6-8-16(9-7-15)20-29(25,26)18-5-4-12-27-18/h4-9,12,17,20H,2-3,10-11,13-14H2,1H3
InChIKeyCGROVQDZRUNESI-UHFFFAOYSA-N
XLogP2.98
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide
CID 7259974
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55520088
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55984401
N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55520186
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybenzamide
CID 18573555
6-[butyl-(1,1-dioxothiolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119179473
[2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808044
N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51321300
N-butyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 55508032
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 18573594
N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
CID 55507710
N-(1,1-dioxothiolan-3-yl)-N-propyl-4-(trifluoromethylsulfonyl)benzamide
CID 55573266

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide (CID 55984153) is N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide is CCCCN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is CGROVQDZRUNESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S3/c1-2-3-11-21(17-10-13-28(23,24)14-17)19(22)15-6-8-16(9-7-15)20-29(25,26)18-5-4-12-27-18/h4-9,12,17,20H,2-3,10-11,13-14H2,1H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 456.61 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55984153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).