N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide

C24H29N3O3S — CID 42626315

IUPACN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C24H29N3O3S/c1-30-21-8-4-3-7-20(21)27-14-12-26(13-15-27)17-19(28)10-11-25-24(29)23-16-18-6-2-5-9-22(18)31-23/h2-9,16,19,28H,10-15,17H2,1H3,(H,25,29)
InChIKeyOUNYCNQDFAUREF-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.21
Rot. Bonds8

About N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide

N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide (PubChem CID 42626315) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
PubChem CID42626315
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C24H29N3O3S/c1-30-21-8-4-3-7-20(21)27-14-12-26(13-15-27)17-19(28)10-11-25-24(29)23-16-18-6-2-5-9-22(18)31-23/h2-9,16,19,28H,10-15,17H2,1H3,(H,25,29)
InChIKeyOUNYCNQDFAUREF-UHFFFAOYSA-N
XLogP3.21
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide (CID 42626315) is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide is COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3s2)CC1.
What is the InChIKey of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide?
The InChIKey is OUNYCNQDFAUREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-30-21-8-4-3-7-20(21)27-14-12-26(13-15-27)17-19(28)10-11-25-24(29)23-16-18-6-2-5-9-22(18)31-23/h2-9,16,19,28H,10-15,17H2,1H3,(H,25,29).
What are the key properties of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide?
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42626315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).