N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

C18H22N2OS — CID 832523

IUPACN-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
SMILESCN(C)Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2
InChIInChI=1S/C18H22N2OS/c1-20(2)12-15-14-10-6-7-11-16(14)22-18(15)19-17(21)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,19,21)
InChIKeyUOWGEHUPKGKPJJ-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.94
Rot. Bonds4

About N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide (PubChem CID 832523) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
PubChem CID832523
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
SMILESCN(C)Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2
InChIInChI=1S/C18H22N2OS/c1-20(2)12-15-14-10-6-7-11-16(14)22-18(15)19-17(21)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,19,21)
InChIKeyUOWGEHUPKGKPJJ-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 833808
(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium
CID 7047214
N-(3-formyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
CID 833794
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 902348
methyl 2-[(4-benzylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4618224
2-benzamido-N-[(2R)-2,3-dihydroxypropyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1112368
2-benzamido-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2251568
N-benzyl-2-[[4-(methylsulfonylmethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16559656
4-methoxy-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 171977630
ethyl 2-[(4-benzylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4071851
2-[(4-tert-butylbenzoyl)amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3327281
2-amino-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 131853705

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide (CID 832523) is N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide is CN(C)Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide?
The InChIKey is UOWGEHUPKGKPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-20(2)12-15-14-10-6-7-11-16(14)22-18(15)19-17(21)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide?
N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide has a molecular weight of 314.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide is sourced from PubChem (CID 832523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).