N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide

C24H25ClN2O2S2 — CID 3202367

IUPACN-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(Cc1ccccc1Cl)C(=O)c1cccs1
InChIInChI=1S/C24H25ClN2O2S2/c25-19-11-5-4-8-17(19)16-27(24(29)21-13-7-15-31-21)22(20-12-6-14-30-20)23(28)26-18-9-2-1-3-10-18/h4-8,11-15,18,22H,1-3,9-10,16H2,(H,26,28)
InChIKeyYYJMPTOSWMGOQY-UHFFFAOYSA-N
MW473.06 g/mol
LogP6.30
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide

N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide (PubChem CID 3202367) has the molecular formula C24H25ClN2O2S2 and a molecular weight of 473.06 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide
PubChem CID3202367
Molecular FormulaC24H25ClN2O2S2
Molecular Weight473.06 g/mol
Exact Mass472.10
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(Cc1ccccc1Cl)C(=O)c1cccs1
InChIInChI=1S/C24H25ClN2O2S2/c25-19-11-5-4-8-17(19)16-27(24(29)21-13-7-15-31-21)22(20-12-6-14-30-20)23(28)26-18-9-2-1-3-10-18/h4-8,11-15,18,22H,1-3,9-10,16H2,(H,26,28)
InChIKeyYYJMPTOSWMGOQY-UHFFFAOYSA-N
XLogP6.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.06
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 25448951
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 3202369
(2S)-2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 1437711
N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 3202382
N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 3202397
2-[(2-chlorophenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-thiophen-2-ylacetamide
CID 3180400
N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide
CID 52951265
(2S)-2-[(2-chlorophenyl)methyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclohexyl-2-thiophen-2-ylacetamide
CID 98088609
N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 3202308
N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide
CID 1441838
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 3202405
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoroacetamide
CID 1083856

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide (CID 3202367) is N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide is O=C(NC1CCCCC1)C(c1cccs1)N(Cc1ccccc1Cl)C(=O)c1cccs1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide?
The InChIKey is YYJMPTOSWMGOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2S2/c25-19-11-5-4-8-17(19)16-27(24(29)21-13-7-15-31-21)22(20-12-6-14-30-20)23(28)26-18-9-2-1-3-10-18/h4-8,11-15,18,22H,1-3,9-10,16H2,(H,26,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide?
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide has a molecular weight of 473.06 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3202367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).