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

C22H27N3O3S — CID 24792380

IUPAC2-[[2-[cyclopentyl-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1cccc(C(=O)N(CC(=O)Nc2sc(C)c(C)c2C(N)=O)C2CCCC2)c1
InChIInChI=1S/C22H27N3O3S/c1-13-7-6-8-16(11-13)22(28)25(17-9-4-5-10-17)12-18(26)24-21-19(20(23)27)14(2)15(3)29-21/h6-8,11,17H,4-5,9-10,12H2,1-3H3,(H2,23,27)(H,24,26)
InChIKeyNSTCNUQAQVUTQI-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.80
Rot. Bonds6

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

2-[[2-[cyclopentyl-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 24792380) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-[[2-[cyclopentyl-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[cyclopentyl-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID24792380
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name2-[[2-[cyclopentyl-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1cccc(C(=O)N(CC(=O)Nc2sc(C)c(C)c2C(N)=O)C2CCCC2)c1
InChIInChI=1S/C22H27N3O3S/c1-13-7-6-8-16(11-13)22(28)25(17-9-4-5-10-17)12-18(26)24-21-19(20(23)27)14(2)15(3)29-21/h6-8,11,17H,4-5,9-10,12H2,1-3H3,(H2,23,27)(H,24,26)
InChIKeyNSTCNUQAQVUTQI-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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Related Compounds

N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
(5R)-N,N-Diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16122638
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
2-amino-N-phenethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 830161
2-(3-Methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 690904
3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
CID 23628220
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide
CID 1442554
2-[[2-(1,3-Dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 2738659
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
N-{3-[(diethylamino)methyl]-4,5-dimethylthiophen-2-yl}benzamide
CID 833802

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopentyl-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[cyclopentyl-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 24792380) is 2-[[2-[cyclopentyl-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[cyclopentyl-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[cyclopentyl-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1cccc(C(=O)N(CC(=O)Nc2sc(C)c(C)c2C(N)=O)C2CCCC2)c1.
What is the InChIKey of 2-[[2-[cyclopentyl-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is NSTCNUQAQVUTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-13-7-6-8-16(11-13)22(28)25(17-9-4-5-10-17)12-18(26)24-21-19(20(23)27)14(2)15(3)29-21/h6-8,11,17H,4-5,9-10,12H2,1-3H3,(H2,23,27)(H,24,26).
What are the key properties of 2-[[2-[cyclopentyl-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[cyclopentyl-(3-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-(3-methylbenzoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 24792380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).