N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide

C18H18N2O2S — CID 3155222

IUPACN-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CCC(C)C2
InChIInChI=1S/C18H18N2O2S/c1-11-7-8-12-14(10-19)18(23-16(12)9-11)20-17(21)13-5-3-4-6-15(13)22-2/h3-6,11H,7-9H2,1-2H3,(H,20,21)
InChIKeyTZGRUOVKSLGAAU-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.01
Rot. Bonds3

About N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide (PubChem CID 3155222) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide
PubChem CID3155222
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CCC(C)C2
InChIInChI=1S/C18H18N2O2S/c1-11-7-8-12-14(10-19)18(23-16(12)9-11)20-17(21)13-5-3-4-6-15(13)22-2/h3-6,11H,7-9H2,1-2H3,(H,20,21)
InChIKeyTZGRUOVKSLGAAU-UHFFFAOYSA-N
XLogP4.01
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2,6-dimethoxybenzamide
CID 686671
2-[(2,6-Dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1219754
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
2-(3-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 961926
2-[2-(2-Methoxyphenyl)acetylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbo xamide
CID 674573
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide
CID 958575
Ethyl 2-{[(2E)-3-(4-methoxyphenyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5710767
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide
CID 4183341
2-(3-(4-Methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 1083543
Methyl 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-3-methyl-2-thiophenecarboxylate
CID 1088392
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide
CID 1130986
4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methyl-2-thiophenecarboxamide
CID 1221824

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide (CID 3155222) is N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1sc2c(c1C#N)CCC(C)C2.
What is the InChIKey of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide?
The InChIKey is TZGRUOVKSLGAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-11-7-8-12-14(10-19)18(23-16(12)9-11)20-17(21)13-5-3-4-6-15(13)22-2/h3-6,11H,7-9H2,1-2H3,(H,20,21).
What are the key properties of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide?
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide has a molecular weight of 326.42 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 3155222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).