N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide

C21H26N2O2S — CID 1442219

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)s2)c1
InChIInChI=1S/C21H26N2O2S/c1-15-7-6-10-18(13-15)23(21(25)19-12-11-16(2)26-19)14-20(24)22-17-8-4-3-5-9-17/h6-7,10-13,17H,3-5,8-9,14H2,1-2H3,(H,22,24)
InChIKeyPAUAXUSKRYJXEO-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.46
Rot. Bonds5

About N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide (PubChem CID 1442219) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide
PubChem CID1442219
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)s2)c1
InChIInChI=1S/C21H26N2O2S/c1-15-7-6-10-18(13-15)23(21(25)19-12-11-16(2)26-19)14-20(24)22-17-8-4-3-5-9-17/h6-7,10-13,17H,3-5,8-9,14H2,1-2H3,(H,22,24)
InChIKeyPAUAXUSKRYJXEO-UHFFFAOYSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide (CID 1442219) is N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide is Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)s2)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is PAUAXUSKRYJXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15-7-6-10-18(13-15)23(21(25)19-12-11-16(2)26-19)14-20(24)22-17-8-4-3-5-9-17/h6-7,10-13,17H,3-5,8-9,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-(3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1442219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).