4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide

C14H15N3O2S — CID 680979

IUPAC4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide
SMILESCc1sc(NC(=O)Nc2ccccc2)c(C(N)=O)c1C
InChIInChI=1S/C14H15N3O2S/c1-8-9(2)20-13(11(8)12(15)18)17-14(19)16-10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,15,18)(H2,16,17,19)
InChIKeyMWIROVVCDJHCQY-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.11
Rot. Bonds3

About 4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide

4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide (PubChem CID 680979) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide
PubChem CID680979
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide
SMILESCc1sc(NC(=O)Nc2ccccc2)c(C(N)=O)c1C
InChIInChI=1S/C14H15N3O2S/c1-8-9(2)20-13(11(8)12(15)18)17-14(19)16-10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,15,18)(H2,16,17,19)
InChIKeyMWIROVVCDJHCQY-UHFFFAOYSA-N
XLogP3.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Tpca-1
CID 9903786
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
3-(Carbamoylamino)-5-Phenylthiophene-2-Carboxamide
CID 10220851
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
2-(Carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide
CID 25137992
2-(Carbamoylamino)-5-[2-(2-fluorophenyl)ethynyl]thiophene-3-carboxamide
CID 25137993
2-(Carbamoylamino)-5-[2-(2-methylphenyl)ethynyl]thiophene-3-carboxamide
CID 25137995
5-[2-(3-Aminophenyl)ethynyl]-2-(carbamoylamino)thiophene-3-carboxamide
CID 25137998
5-[2-(3-Benzamidophenyl)ethynyl]-2-(carbamoylamino)thiophene-3-carboxamide
CID 25138002
2-(Carbamoylamino)-5-[2-(3-acetamidophenyl)ethynyl]thiophene-3-carboxamide
CID 25138003
2-(Carbamoylamino)-5-{2-[3-(2,2,2-trifluoroacetamido)phenyl]ethynyl}thiophene-3-carboxamide
CID 25138004
2-(Carbamoylamino)-5-[2-(3-methanesulfonamidophenyl)ethynyl]thiophene-3-carboxamide
CID 25138007

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide (CID 680979) is 4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide is Cc1sc(NC(=O)Nc2ccccc2)c(C(N)=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide?
The InChIKey is MWIROVVCDJHCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-9(2)20-13(11(8)12(15)18)17-14(19)16-10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,15,18)(H2,16,17,19).
What are the key properties of 4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide?
4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(phenylcarbamoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 680979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).