N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C16H24N2O2S — CID 2936145

IUPACN-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-11(2)14(18-15(19)13-9-6-10-21-13)16(20)17-12-7-4-3-5-8-12/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyMFXXQAZKNSRQSK-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.95
Rot. Bonds5

About N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 2936145) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID2936145
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-11(2)14(18-15(19)13-9-6-10-21-13)16(20)17-12-7-4-3-5-8-12/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyMFXXQAZKNSRQSK-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 2936145) is N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)NC1CCCCC1.
What is the InChIKey of N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is MFXXQAZKNSRQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11(2)14(18-15(19)13-9-6-10-21-13)16(20)17-12-7-4-3-5-8-12/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2936145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).