2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C19H24N2O5S2 — CID 35539470

IUPAC2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCNC(=O)c1c(NS(=O)(=O)c2cc(OC)ccc2OC)sc2c1CCCC2
InChIInChI=1S/C19H24N2O5S2/c1-4-20-18(22)17-13-7-5-6-8-15(13)27-19(17)21-28(23,24)16-11-12(25-2)9-10-14(16)26-3/h9-11,21H,4-8H2,1-3H3,(H,20,22)
InChIKeyMTUXJNMUGVRGSI-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.19
Rot. Bonds7

About 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 35539470) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID35539470
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCNC(=O)c1c(NS(=O)(=O)c2cc(OC)ccc2OC)sc2c1CCCC2
InChIInChI=1S/C19H24N2O5S2/c1-4-20-18(22)17-13-7-5-6-8-15(13)27-19(17)21-28(23,24)16-11-12(25-2)9-10-14(16)26-3/h9-11,21H,4-8H2,1-3H3,(H,20,22)
InChIKeyMTUXJNMUGVRGSI-UHFFFAOYSA-N
XLogP3.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_F(1)', 'substructure': 'N/A'}

Analyze 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

ethyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 66486008
N-(2,4-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3261635
N-(2,5-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2254537
methyl 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2239666
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5084268
N'-(2,5-dimethoxyphenyl)sulfonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26952094
N-(2,5-dimethoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3148525
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 3585915
N-(3-methoxypropyl)-2-(thiophen-2-ylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 35539936
N-(2,5-dimethoxyphenyl)-2-(pyridin-4-ylmethylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1319170
2-[(3,4-dimethylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2106313
2-amino-N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 2291582

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 35539470) is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCNC(=O)c1c(NS(=O)(=O)c2cc(OC)ccc2OC)sc2c1CCCC2.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is MTUXJNMUGVRGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-4-20-18(22)17-13-7-5-6-8-15(13)27-19(17)21-28(23,24)16-11-12(25-2)9-10-14(16)26-3/h9-11,21H,4-8H2,1-3H3,(H,20,22).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 35539470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).