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

C21H25N3O3S — CID 43813707

IUPAC2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(C(=O)c2ccccc2)C2CCCC2)c(C(N)=O)c1C
InChIInChI=1S/C21H25N3O3S/c1-13-14(2)28-20(18(13)19(22)26)23-17(25)12-24(16-10-6-7-11-16)21(27)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H2,22,26)(H,23,25)
InChIKeyYXLDAXVDNOXVTG-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.49
Rot. Bonds6

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

2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 43813707) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID43813707
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(C(=O)c2ccccc2)C2CCCC2)c(C(N)=O)c1C
InChIInChI=1S/C21H25N3O3S/c1-13-14(2)28-20(18(13)19(22)26)23-17(25)12-24(16-10-6-7-11-16)21(27)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H2,22,26)(H,23,25)
InChIKeyYXLDAXVDNOXVTG-UHFFFAOYSA-N
XLogP3.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 43813708
2-[[2-[cyclohexanecarbonyl(2-phenylethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 1460407
2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 1460381
2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43813704
2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56500894
N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 43813737
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1015549
ethyl 5-carbamoyl-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 17376108
2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexanecarbonyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108799844
(1S,2R,3S,4S)-3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124580865

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 43813707) is 2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CN(C(=O)c2ccccc2)C2CCCC2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is YXLDAXVDNOXVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-13-14(2)28-20(18(13)19(22)26)23-17(25)12-24(16-10-6-7-11-16)21(27)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H2,22,26)(H,23,25).
What are the key properties of 2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 43813707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).