2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide

C15H16N4O4S — CID 143129105

IUPAC2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide
SMILESCc1cccc(OCC(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)c1
InChIInChI=1S/C15H16N4O4S/c1-8-3-2-4-9(5-8)23-7-11(20)18-12-6-10(13(16)21)14(24-12)19-15(17)22/h2-6H,7H2,1H3,(H2,16,21)(H,18,20)(H3,17,19,22)
InChIKeyGKJNMCRZRFLHQT-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.66
Rot. Bonds6

About 2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide

2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide (PubChem CID 143129105) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide
PubChem CID143129105
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide
SMILESCc1cccc(OCC(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)c1
InChIInChI=1S/C15H16N4O4S/c1-8-3-2-4-9(5-8)23-7-11(20)18-12-6-10(13(16)21)14(24-12)19-15(17)22/h2-6H,7H2,1H3,(H2,16,21)(H,18,20)(H3,17,19,22)
InChIKeyGKJNMCRZRFLHQT-UHFFFAOYSA-N
XLogP1.66
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid
CID 43356560
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-methylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 9247176
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 82176492
N-(2-fluorophenyl)-2-(3-methylphenoxy)acetamide
CID 723312
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
diethyl 3-methyl-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2,4-dicarboxylate
CID 1112453
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853444
2-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 7035586
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide (CID 143129105) is 2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide is Cc1cccc(OCC(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)c1.
What is the InChIKey of 2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is GKJNMCRZRFLHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-8-3-2-4-9(5-8)23-7-11(20)18-12-6-10(13(16)21)14(24-12)19-15(17)22/h2-6H,7H2,1H3,(H2,16,21)(H,18,20)(H3,17,19,22).
What are the key properties of 2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 143129105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).