N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide

C28H31N3OS — CID 18463098

IUPACN-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide
SMILESCCCC(NC(=O)c1ccc2sc3ccccc3c2c1)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C28H31N3OS/c1-3-8-27(31-17-15-30(16-18-31)24-11-6-4-9-20(24)2)29-28(32)21-13-14-26-23(19-21)22-10-5-7-12-25(22)33-26/h4-7,9-14,19,27H,3,8,15-18H2,1-2H3,(H,29,32)
InChIKeyYRFLUISOHUGYQJ-UHFFFAOYSA-N
MW457.64 g/mol
LogP6.04
Rot. Bonds6

About N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide

N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide (PubChem CID 18463098) has the molecular formula C28H31N3OS and a molecular weight of 457.64 g/mol. Its IUPAC name is N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide
PubChem CID18463098
Molecular FormulaC28H31N3OS
Molecular Weight457.64 g/mol
Exact Mass457.22
IUPAC NameN-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide
SMILESCCCC(NC(=O)c1ccc2sc3ccccc3c2c1)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C28H31N3OS/c1-3-8-27(31-17-15-30(16-18-31)24-11-6-4-9-20(24)2)29-28(32)21-13-14-26-23(19-21)22-10-5-7-12-25(22)33-26/h4-7,9-14,19,27H,3,8,15-18H2,1-2H3,(H,29,32)
InChIKeyYRFLUISOHUGYQJ-UHFFFAOYSA-N
XLogP6.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.64
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-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

Related Compounds

N-[1-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butyl]-9-methylcarbazole-3-carboxamide
CID 70222327
N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]dibenzofuran-2-carboxamide
CID 19707702
N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methylcarbazole-2-carboxamide
CID 21266859
N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride
CID 70221483
N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9,10-dioxoanthracene-2-carboxamide
CID 70087838
N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide
CID 70221480
N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-9,10-dioxoanthracene-2-carboxamide;hydrochloride
CID 70103367
N-[(2R)-1-[4-(2-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 9153018
4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 9152960
1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone
CID 170861445
1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone
CID 170895942
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide?
The IUPAC name of N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide (CID 18463098) is N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide?
The canonical SMILES for N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide is CCCC(NC(=O)c1ccc2sc3ccccc3c2c1)N1CCN(c2ccccc2C)CC1.
What is the InChIKey of N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide?
The InChIKey is YRFLUISOHUGYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3OS/c1-3-8-27(31-17-15-30(16-18-31)24-11-6-4-9-20(24)2)29-28(32)21-13-14-26-23(19-21)22-10-5-7-12-25(22)33-26/h4-7,9-14,19,27H,3,8,15-18H2,1-2H3,(H,29,32).
What are the key properties of N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide?
N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide has a molecular weight of 457.64 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylphenyl)piperazin-1-yl]butyl]dibenzothiophene-2-carboxamide is sourced from PubChem (CID 18463098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).