2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C22H27N3O3S — CID 24792389

IUPAC2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1ccccc1C(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCC1
InChIInChI=1S/C22H27N3O3S/c1-13-8-4-7-11-17(13)22(28)25(16-9-5-6-10-16)12-18(26)24-21-19(20(23)27)14(2)15(3)29-21/h4,7-8,11,16H,5-6,9-10,12H2,1-3H3,(H2,23,27)(H,24,26)
InChIKeyCLWKFTSVDZNAQW-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.80
Rot. Bonds6

About 2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 24792389) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID24792389
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1ccccc1C(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCC1
InChIInChI=1S/C22H27N3O3S/c1-13-8-4-7-11-17(13)22(28)25(16-9-5-6-10-16)12-18(26)24-21-19(20(23)27)14(2)15(3)29-21/h4,7-8,11,16H,5-6,9-10,12H2,1-3H3,(H2,23,27)(H,24,26)
InChIKeyCLWKFTSVDZNAQW-UHFFFAOYSA-N
XLogP3.80
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 24792389) is 2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1ccccc1C(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCC1.
What is the InChIKey of 2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is CLWKFTSVDZNAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-13-8-4-7-11-17(13)22(28)25(16-9-5-6-10-16)12-18(26)24-21-19(20(23)27)14(2)15(3)29-21/h4,7-8,11,16H,5-6,9-10,12H2,1-3H3,(H2,23,27)(H,24,26).
What are the key properties of 2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopentyl-(2-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 24792389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).