N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide

C20H26N2O2S2 — CID 1009025

IUPACN-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide
SMILESCC1(C)C[C@@H](NC(=O)c2cccs2)C[C@](C)(CNC(=O)c2cccs2)C1
InChIInChI=1S/C20H26N2O2S2/c1-19(2)10-14(22-18(24)16-7-5-9-26-16)11-20(3,12-19)13-21-17(23)15-6-4-8-25-15/h4-9,14H,10-13H2,1-3H3,(H,21,23)(H,22,24)/t14-,20+/m1/s1
InChIKeyPOELBCUWPASYPJ-VLIAUNLRSA-N
MW390.57 g/mol
LogP4.55
Rot. Bonds5

About N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide

N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide (PubChem CID 1009025) has the molecular formula C20H26N2O2S2 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide
PubChem CID1009025
Molecular FormulaC20H26N2O2S2
Molecular Weight390.57 g/mol
Exact Mass390.14
IUPAC NameN-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide
SMILESCC1(C)C[C@@H](NC(=O)c2cccs2)C[C@](C)(CNC(=O)c2cccs2)C1
InChIInChI=1S/C20H26N2O2S2/c1-19(2)10-14(22-18(24)16-7-5-9-26-16)11-20(3,12-19)13-21-17(23)15-6-4-8-25-15/h4-9,14H,10-13H2,1-3H3,(H,21,23)(H,22,24)/t14-,20+/m1/s1
InChIKeyPOELBCUWPASYPJ-VLIAUNLRSA-N
XLogP4.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

3-thiophen-2-yl-N-[[1,3,3-trimethyl-5-(3-thiophen-2-ylprop-2-enoylamino)cyclohexyl]methyl]prop-2-enamide
CID 4227461
3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 7427818
N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide
CID 4142011
5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide
CID 40601347
phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 121431628
N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 3996775
N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
CID 80528767
3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide
CID 4050363
3-[(1R,3R)-3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea
CID 3084763
3-chloro-N-[[(1R,5R)-5-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 98389190
N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103742453
2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide
CID 42564040

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide (CID 1009025) is N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide is CC1(C)C[C@@H](NC(=O)c2cccs2)C[C@](C)(CNC(=O)c2cccs2)C1.
What is the InChIKey of N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide?
The InChIKey is POELBCUWPASYPJ-VLIAUNLRSA-N. The full InChI is InChI=1S/C20H26N2O2S2/c1-19(2)10-14(22-18(24)16-7-5-9-26-16)11-20(3,12-19)13-21-17(23)15-6-4-8-25-15/h4-9,14H,10-13H2,1-3H3,(H,21,23)(H,22,24)/t14-,20+/m1/s1.
What are the key properties of N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide?
N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide has a molecular weight of 390.57 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 1009025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).