3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide

C30H32N2O3S — CID 53316600

IUPAC3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C30H32N2O3S/c1-19-16-20(2)28-24(17-19)27(29(36-28)30(34)32(3)4)22-12-10-21(11-13-22)14-15-31-26(33)18-23-8-6-7-9-25(23)35-5/h6-13,16-17H,14-15,18H2,1-5H3,(H,31,33)
InChIKeyRFLCCBORSMQZKZ-UHFFFAOYSA-N
MW500.66 g/mol
LogP5.80
Rot. Bonds8

About 3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide

3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide (PubChem CID 53316600) has the molecular formula C30H32N2O3S and a molecular weight of 500.66 g/mol. Its IUPAC name is 3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide
PubChem CID53316600
Molecular FormulaC30H32N2O3S
Molecular Weight500.66 g/mol
Exact Mass500.21
IUPAC Name3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C30H32N2O3S/c1-19-16-20(2)28-24(17-19)27(29(36-28)30(34)32(3)4)22-12-10-21(11-13-22)14-15-31-26(33)18-23-8-6-7-9-25(23)35-5/h6-13,16-17H,14-15,18H2,1-5H3,(H,31,33)
InChIKeyRFLCCBORSMQZKZ-UHFFFAOYSA-N
XLogP5.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.66
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

3-(4-((N-(1-(2-methoxyphenyl)cyclopropanecarbonyl)sulfamoyl)methyl)phenyl)-N,N,5,7-tetramethylbenzo[b]thiophene-2-carboxamide
CID 53320541
N-[2-(2-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1245998
2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide
CID 11439694
N-(2-methoxybenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16193966
N-(4-(4-((2-methoxyphenyl)(phenyl)methyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 44436737
N-(4-(4-(bis(2-methoxyphenyl)methyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 44436743
3-(4-(2-(1-(2-methoxyphenyl)cyclopropanecarboxamido)ethyl)phenyl)-N,N,5,7-tetramethylbenzo[b]thiophene-2-carboxamide
CID 53316601
5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 137635339
N-(2-methoxybenzyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
CID 16017164
5-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 25163447
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 47024112
N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635966

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide (CID 53316600) is 3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide is COc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1.
What is the InChIKey of 3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide?
The InChIKey is RFLCCBORSMQZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3S/c1-19-16-20(2)28-24(17-19)27(29(36-28)30(34)32(3)4)22-12-10-21(11-13-22)14-15-31-26(33)18-23-8-6-7-9-25(23)35-5/h6-13,16-17H,14-15,18H2,1-5H3,(H,31,33).
What are the key properties of 3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide?
3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide has a molecular weight of 500.66 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]phenyl]-N,N,5,7-tetramethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 53316600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).