(5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C20H24N2O5S — CID 7012950

IUPAC(5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOc1cc(C(=O)Nc2sc3c(c2C(N)=O)C[C@H](C)CC3)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5S/c1-10-5-6-15-12(7-10)16(18(21)23)20(28-15)22-19(24)11-8-13(25-2)17(27-4)14(9-11)26-3/h8-10H,5-7H2,1-4H3,(H2,21,23)(H,22,24)/t10-/m1/s1
InChIKeyMMLLLURXHAOAEV-SNVBAGLBSA-N
MW404.49 g/mol
LogP3.25
Rot. Bonds6

About (5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

(5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 7012950) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is (5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID7012950
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name(5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOc1cc(C(=O)Nc2sc3c(c2C(N)=O)C[C@H](C)CC3)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5S/c1-10-5-6-15-12(7-10)16(18(21)23)20(28-15)22-19(24)11-8-13(25-2)17(27-4)14(9-11)26-3/h8-10H,5-7H2,1-4H3,(H2,21,23)(H,22,24)/t10-/m1/s1
InChIKeyMMLLLURXHAOAEV-SNVBAGLBSA-N
XLogP3.25
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

2-[(3,4,5-trimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1159707
(5R)-2-benzamido-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 6991855
6-methyl-2-[(3,4,5-triethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3148545
2-[(4-fluorobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4596701
(5R)-2-[(4-bromobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 6991863
(5R)-5-methyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7090873
6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4230198
2-[(5-chlorothiophene-2-carbonyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4317068
2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2533931
(5R)-2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7090955
(5R)-5-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7090919
(5S)-2-[(2-chlorobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7090879

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of (5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 7012950) is (5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for (5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for (5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is COc1cc(C(=O)Nc2sc3c(c2C(N)=O)C[C@H](C)CC3)cc(OC)c1OC.
What is the InChIKey of (5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is MMLLLURXHAOAEV-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-10-5-6-15-12(7-10)16(18(21)23)20(28-15)22-19(24)11-8-13(25-2)17(27-4)14(9-11)26-3/h8-10H,5-7H2,1-4H3,(H2,21,23)(H,22,24)/t10-/m1/s1.
What are the key properties of (5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
(5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 7012950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).