1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea

C16H18N4O4S — CID 47960208

IUPAC1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea
SMILESCOc1ccccc1CC(=O)NNC(=O)NNC(=O)c1ccc(C)s1
InChIInChI=1S/C16H18N4O4S/c1-10-7-8-13(25-10)15(22)18-20-16(23)19-17-14(21)9-11-5-3-4-6-12(11)24-2/h3-8H,9H2,1-2H3,(H,17,21)(H,18,22)(H2,19,20,23)
InChIKeyAYGKEVGUOBVVKD-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.28
Rot. Bonds4

About 1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea

1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea (PubChem CID 47960208) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea.

Molecular Properties

Compound Name1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea
PubChem CID47960208
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea
SMILESCOc1ccccc1CC(=O)NNC(=O)NNC(=O)c1ccc(C)s1
InChIInChI=1S/C16H18N4O4S/c1-10-7-8-13(25-10)15(22)18-20-16(23)19-17-14(21)9-11-5-3-4-6-12(11)24-2/h3-8H,9H2,1-2H3,(H,17,21)(H,18,22)(H2,19,20,23)
InChIKeyAYGKEVGUOBVVKD-UHFFFAOYSA-N
XLogP1.28
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide
CID 7809022
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
N'-[2-(2-methoxyphenyl)acetyl]-3-methylbutanehydrazide
CID 46653047
N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide
CID 36855608
N'-[2-(2-methoxyphenyl)acetyl]pyridine-2-carbohydrazide
CID 27661730
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N'-benzoyl-5-methylthiophene-2-carbohydrazide
CID 4808936
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
CID 41182201
5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 55854158
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41309125
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea?
The IUPAC name of 1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea (CID 47960208) is 1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea.
What is the SMILES notation for 1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea?
The canonical SMILES for 1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea is COc1ccccc1CC(=O)NNC(=O)NNC(=O)c1ccc(C)s1.
What is the InChIKey of 1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea?
The InChIKey is AYGKEVGUOBVVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-10-7-8-13(25-10)15(22)18-20-16(23)19-17-14(21)9-11-5-3-4-6-12(11)24-2/h3-8H,9H2,1-2H3,(H,17,21)(H,18,22)(H2,19,20,23).
What are the key properties of 1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea?
1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea has a molecular weight of 362.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea is sourced from PubChem (CID 47960208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).