3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide

C16H20Cl2N2OS — CID 112792900

IUPAC3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C16H20Cl2N2OS/c1-16(2,9-20(3)4)8-19-15(21)14-13(18)11-6-5-10(17)7-12(11)22-14/h5-7H,8-9H2,1-4H3,(H,19,21)
InChIKeySIFFRTRWXAEWDF-UHFFFAOYSA-N
MW359.32 g/mol
LogP4.53
Rot. Bonds5

About 3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide

3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide (PubChem CID 112792900) has the molecular formula C16H20Cl2N2OS and a molecular weight of 359.32 g/mol. Its IUPAC name is 3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide
PubChem CID112792900
Molecular FormulaC16H20Cl2N2OS
Molecular Weight359.32 g/mol
Exact Mass358.07
IUPAC Name3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C16H20Cl2N2OS/c1-16(2,9-20(3)4)8-19-15(21)14-13(18)11-6-5-10(17)7-12(11)22-14/h5-7H,8-9H2,1-4H3,(H,19,21)
InChIKeySIFFRTRWXAEWDF-UHFFFAOYSA-N
XLogP4.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide
CID 903260
3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 673330
3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 2329285
3,6-Dichloro-N-cyclopropylbenzo[b]thiophene-2-carboxamide
CID 9079896
3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 18163749
3,6-dichloro-N-(2-morpholinoethyl)benzo[b]thiophene-2-carboxamide
CID 980359
7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 6623618
3-chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboxamide
CID 874448
3-chloro-6-fluoro-N-[3-(morpholin-4-yl)propyl]-1-benzothiophene-2-carboxamide
CID 2329891
3-chloro-6-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 2335634
(3-Chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4152572
7-chloro-N-[(4-methylphenyl)methyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 16012479

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide (CID 112792900) is 3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide is CN(C)CC(C)(C)CNC(=O)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide?
The InChIKey is SIFFRTRWXAEWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2OS/c1-16(2,9-20(3)4)8-19-15(21)14-13(18)11-6-5-10(17)7-12(11)22-14/h5-7H,8-9H2,1-4H3,(H,19,21).
What are the key properties of 3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide has a molecular weight of 359.32 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 112792900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).