ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate

C16H26N2O3S — CID 60566688

IUPACethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1sccc1CC)CC(C)C
InChIInChI=1S/C16H26N2O3S/c1-5-12-7-8-22-14(12)15(19)17-10-13(9-11(3)4)18-16(20)21-6-2/h7-8,11,13H,5-6,9-10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyJMAXEAUTFCGEGD-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.20
Rot. Bonds8

About ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate (PubChem CID 60566688) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
PubChem CID60566688
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Nameethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1sccc1CC)CC(C)C
InChIInChI=1S/C16H26N2O3S/c1-5-12-7-8-22-14(12)15(19)17-10-13(9-11(3)4)18-16(20)21-6-2/h7-8,11,13H,5-6,9-10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyJMAXEAUTFCGEGD-UHFFFAOYSA-N
XLogP3.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959669
ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929569
ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate
CID 55654735
ethyl N-[4-methyl-1-[(2-nitrobenzoyl)amino]pentan-2-yl]carbamate
CID 46432668
ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate
CID 46432540
ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate
CID 97029173
ethyl N-[(2S)-1-[(3-cyanobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38931311
3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 66107939
ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 46432510
ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate
CID 55654786

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate (CID 60566688) is ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1sccc1CC)CC(C)C.
What is the InChIKey of ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is JMAXEAUTFCGEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-12-7-8-22-14(12)15(19)17-10-13(9-11(3)4)18-16(20)21-6-2/h7-8,11,13H,5-6,9-10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 326.46 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 60566688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).