N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide

C17H20N2OS — CID 112980718

IUPACN-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC2CCCCC2)cc1)c1cccs1
InChIInChI=1S/C17H20N2OS/c20-17(16-7-4-12-21-16)19-15-10-8-14(9-11-15)18-13-5-2-1-3-6-13/h4,7-13,18H,1-3,5-6H2,(H,19,20)
InChIKeyXRVKJXRAAXCVTR-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.74
Rot. Bonds4

About N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide

N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide (PubChem CID 112980718) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
PubChem CID112980718
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC2CCCCC2)cc1)c1cccs1
InChIInChI=1S/C17H20N2OS/c20-17(16-7-4-12-21-16)19-15-10-8-14(9-11-15)18-13-5-2-1-3-6-13/h4,7-13,18H,1-3,5-6H2,(H,19,20)
InChIKeyXRVKJXRAAXCVTR-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 51102607
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 119309311
N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide
CID 75471137
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 119309327
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-(cyclohexylamino)phenyl]thiophene-2-sulfonamide
CID 112980784
N-[4-[(1-hydroxycyclopentanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 110911583
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119621058
N-[4-(piperidin-1-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9272074
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide (CID 112980718) is N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(NC2CCCCC2)cc1)c1cccs1.
What is the InChIKey of N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is XRVKJXRAAXCVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-17(16-7-4-12-21-16)19-15-10-8-14(9-11-15)18-13-5-2-1-3-6-13/h4,7-13,18H,1-3,5-6H2,(H,19,20).
What are the key properties of N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide?
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 112980718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).