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

C22H27N3O3S — CID 43813708

IUPAC2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(C(=O)c2ccccc2)C2CCCCC2)c(C(N)=O)c1C
InChIInChI=1S/C22H27N3O3S/c1-14-15(2)29-21(19(14)20(23)27)24-18(26)13-25(17-11-7-4-8-12-17)22(28)16-9-5-3-6-10-16/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H2,23,27)(H,24,26)
InChIKeyYEVDPIRTUQGUCS-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.88
Rot. Bonds6

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

2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 43813708) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID43813708
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(C(=O)c2ccccc2)C2CCCCC2)c(C(N)=O)c1C
InChIInChI=1S/C22H27N3O3S/c1-14-15(2)29-21(19(14)20(23)27)24-18(26)13-25(17-11-7-4-8-12-17)22(28)16-9-5-3-6-10-16/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H2,23,27)(H,24,26)
InChIKeyYEVDPIRTUQGUCS-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 43813707
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
ethyl 5-carbamoyl-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 17376108
N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 43813737
2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide
CID 874492
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
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4183323
methyl 5-carbamoyl-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 22200487

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 43813708) is 2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CN(C(=O)c2ccccc2)C2CCCCC2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is YEVDPIRTUQGUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-14-15(2)29-21(19(14)20(23)27)24-18(26)13-25(17-11-7-4-8-12-17)22(28)16-9-5-3-6-10-16/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H2,23,27)(H,24,26).
What are the key properties of 2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 43813708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).