2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide

C14H21N3O2S — CID 874492

IUPAC2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)NC2CCCCC2)c(C(N)=O)c1C
InChIInChI=1S/C14H21N3O2S/c1-8-9(2)20-13(11(8)12(15)18)17-14(19)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,15,18)(H2,16,17,19)
InChIKeyVPHUDDMQKZWOGJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.92
Rot. Bonds3

About 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide

2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide (PubChem CID 874492) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide
PubChem CID874492
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)NC2CCCCC2)c(C(N)=O)c1C
InChIInChI=1S/C14H21N3O2S/c1-8-9(2)20-13(11(8)12(15)18)17-14(19)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,15,18)(H2,16,17,19)
InChIKeyVPHUDDMQKZWOGJ-UHFFFAOYSA-N
XLogP2.92
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4684992
diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate
CID 28693670
4,5-dimethyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113965
2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide
CID 17371220
ethyl 2-(cyclohexylcarbamoylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 4681804
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
(1S,2R,3S,4S)-3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124580865
2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 43813708
(1R,2R,3R,4R)-3-[[3-(cyclohexylcarbamoyl)-4,5-dimethylthiophen-2-yl]carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 124717241
3-[[3-(cyclohexylcarbamoyl)-4,5-dimethylthiophen-2-yl]carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 17377206
4,5-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63662851
5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid
CID 174956541

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide (CID 874492) is 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)NC2CCCCC2)c(C(N)=O)c1C.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is VPHUDDMQKZWOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-8-9(2)20-13(11(8)12(15)18)17-14(19)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,15,18)(H2,16,17,19).
What are the key properties of 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide?
2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 874492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).