N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C24H26N2O6S — CID 1329040

IUPACN-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOc1cc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc(OC)c1OC
InChIInChI=1S/C24H26N2O6S/c1-29-17-11-14(12-18(30-2)21(17)31-3)22(27)26-24-20(16-8-4-5-9-19(16)33-24)23(28)25-13-15-7-6-10-32-15/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyKORNZWXYQMBINC-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.43
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 1329040) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID1329040
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC NameN-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOc1cc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc(OC)c1OC
InChIInChI=1S/C24H26N2O6S/c1-29-17-11-14(12-18(30-2)21(17)31-3)22(27)26-24-20(16-8-4-5-9-19(16)33-24)23(28)25-13-15-7-6-10-32-15/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyKORNZWXYQMBINC-UHFFFAOYSA-N
XLogP4.43
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Flt-3 inhibitor
CID 1048845
N-(2-Furylmethyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1278238
5-(Morpholin-4-YL)-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 20855296
Ethyl 2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CID 983237
N-(3-{[(2-furylmethyl)amino]carbonyl}-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1,3-benzodioxole-5-carboxamide
CID 1245861
N-(2-furylmethyl)-2-[(2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1329150
N-{4,5-dimethyl-3-[morpholin-4-yl(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl}furan-2-carboxamide
CID 4586415
N-(2,4-dimethoxyphenyl)-6-methyl-2-[(5-methylfuran-2-yl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2943293
2-[(3,4,5-Trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2059507
N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-3,4,5-trimethoxy-benzamide
CID 1131505
2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-N-(2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1283751
2-[[2-(3,4,5-Trimethoxyphenyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2102981

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 1329040) is N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is COc1cc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc(OC)c1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is KORNZWXYQMBINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-29-17-11-14(12-18(30-2)21(17)31-3)22(27)26-24-20(16-8-4-5-9-19(16)33-24)23(28)25-13-15-7-6-10-32-15/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1329040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).