1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide

C20H30N2O2S — CID 3290869

IUPAC1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide
SMILESCC(=O)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C20H30N2O2S/c1-16(23)22(15-18-11-8-14-25-18)20(12-6-3-7-13-20)19(24)21-17-9-4-2-5-10-17/h8,11,14,17H,2-7,9-10,12-13,15H2,1H3,(H,21,24)
InChIKeyBFTDZRXIKCGFOF-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.25
Rot. Bonds5

About 1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide

1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide (PubChem CID 3290869) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide
PubChem CID3290869
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide
SMILESCC(=O)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C20H30N2O2S/c1-16(23)22(15-18-11-8-14-25-18)20(12-6-3-7-13-20)19(24)21-17-9-4-2-5-10-17/h8,11,14,17H,2-7,9-10,12-13,15H2,1H3,(H,21,24)
InChIKeyBFTDZRXIKCGFOF-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
The IUPAC name of 1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide (CID 3290869) is 1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide is CC(=O)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of 1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
The InChIKey is BFTDZRXIKCGFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-16(23)22(15-18-11-8-14-25-18)20(12-6-3-7-13-20)19(24)21-17-9-4-2-5-10-17/h8,11,14,17H,2-7,9-10,12-13,15H2,1H3,(H,21,24).
What are the key properties of 1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide has a molecular weight of 362.54 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide is sourced from PubChem (CID 3290869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).