N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C15H22N2O2S — CID 11896927

IUPACN-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-10-5-3-6-12(11(10)2)17-14(18)9-16-15(19)13-7-4-8-20-13/h4,7-8,10-12H,3,5-6,9H2,1-2H3,(H,16,19)(H,17,18)/t10-,11-,12+/m1/s1
InChIKeyRMJOIAIPVLRVGD-UTUOFQBUSA-N
MW294.42 g/mol
LogP2.42
Rot. Bonds4

About N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 11896927) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID11896927
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-10-5-3-6-12(11(10)2)17-14(18)9-16-15(19)13-7-4-8-20-13/h4,7-8,10-12H,3,5-6,9H2,1-2H3,(H,16,19)(H,17,18)/t10-,11-,12+/m1/s1
InChIKeyRMJOIAIPVLRVGD-UTUOFQBUSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
CID 4072672
N-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 39948332
N-[2-[(2-ethylsulfanylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 71979779
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
CID 27235346
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676600
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662347
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate
CID 3549796
N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 40882905
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 7783372
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 11915778
N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide
CID 2381843

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 11896927) is N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide is C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is RMJOIAIPVLRVGD-UTUOFQBUSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-5-3-6-12(11(10)2)17-14(18)9-16-15(19)13-7-4-8-20-13/h4,7-8,10-12H,3,5-6,9H2,1-2H3,(H,16,19)(H,17,18)/t10-,11-,12+/m1/s1.
What are the key properties of N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 11896927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).