N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide

C23H34N2O2S — CID 167786716

IUPACN-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide
SMILESCC(CC1CCC1)C(=O)NC1CCC(NC(=O)c2ccc(CC3CC3)s2)CC1
InChIInChI=1S/C23H34N2O2S/c1-15(13-16-3-2-4-16)22(26)24-18-7-9-19(10-8-18)25-23(27)21-12-11-20(28-21)14-17-5-6-17/h11-12,15-19H,2-10,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyYODYFDYZYBNOHZ-UHFFFAOYSA-N
MW402.60 g/mol
LogP4.68
Rot. Bonds8

About N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide

N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide (PubChem CID 167786716) has the molecular formula C23H34N2O2S and a molecular weight of 402.60 g/mol. Its IUPAC name is N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide
PubChem CID167786716
Molecular FormulaC23H34N2O2S
Molecular Weight402.60 g/mol
Exact Mass402.23
IUPAC NameN-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide
SMILESCC(CC1CCC1)C(=O)NC1CCC(NC(=O)c2ccc(CC3CC3)s2)CC1
InChIInChI=1S/C23H34N2O2S/c1-15(13-16-3-2-4-16)22(26)24-18-7-9-19(10-8-18)25-23(27)21-12-11-20(28-21)14-17-5-6-17/h11-12,15-19H,2-10,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyYODYFDYZYBNOHZ-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide (CID 167786716) is N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide is CC(CC1CCC1)C(=O)NC1CCC(NC(=O)c2ccc(CC3CC3)s2)CC1.
What is the InChIKey of N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide?
The InChIKey is YODYFDYZYBNOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2S/c1-15(13-16-3-2-4-16)22(26)24-18-7-9-19(10-8-18)25-23(27)21-12-11-20(28-21)14-17-5-6-17/h11-12,15-19H,2-10,13-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide?
N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide has a molecular weight of 402.60 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 167786716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).