N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C21H26N2O2S — CID 22300917

IUPACN-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N(Cc2ccccc2)C2CCCCC2)s1
InChIInChI=1S/C21H26N2O2S/c1-16-12-13-19(26-16)21(25)22-14-20(24)23(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,18H,3,6-7,10-11,14-15H2,1H3,(H,22,25)
InChIKeyJFVSKTKTYTZTNN-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.15
Rot. Bonds6

About N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 22300917) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID22300917
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N(Cc2ccccc2)C2CCCCC2)s1
InChIInChI=1S/C21H26N2O2S/c1-16-12-13-19(26-16)21(25)22-14-20(24)23(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,18H,3,6-7,10-11,14-15H2,1H3,(H,22,25)
InChIKeyJFVSKTKTYTZTNN-UHFFFAOYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 33351813
2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 79265517
[2-(cyclooctylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4271051
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
CID 78814368
[2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18276130
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclohexylfuran-2-carboxamide
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N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31215607
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CID 4787297
5-bromo-N-[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55828704
5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 30805020

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 22300917) is N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N(Cc2ccccc2)C2CCCCC2)s1.
What is the InChIKey of N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is JFVSKTKTYTZTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-16-12-13-19(26-16)21(25)22-14-20(24)23(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,18H,3,6-7,10-11,14-15H2,1H3,(H,22,25).
What are the key properties of N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 22300917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).