1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea

C14H14N4O4S — CID 4982356

IUPAC1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea
SMILESCCc1ccc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C14H14N4O4S/c1-2-11-7-8-12(23-11)13(19)16-17-14(20)15-9-3-5-10(6-4-9)18(21)22/h3-8H,2H2,1H3,(H,16,19)(H2,15,17,20)
InChIKeyZAIVOUKFPSNGED-UHFFFAOYSA-N
MW334.36 g/mol
LogP2.69
Rot. Bonds4

About 1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea

1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea (PubChem CID 4982356) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is 1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea
PubChem CID4982356
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC Name1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea
SMILESCCc1ccc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C14H14N4O4S/c1-2-11-7-8-12(23-11)13(19)16-17-14(20)15-9-3-5-10(6-4-9)18(21)22/h3-8H,2H2,1H3,(H,16,19)(H2,15,17,20)
InChIKeyZAIVOUKFPSNGED-UHFFFAOYSA-N
XLogP2.69
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64793569
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide
CID 4196331
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
1-[(5-bromothiophene-2-carbonyl)amino]-3-(4-methoxyphenyl)urea
CID 25226709
1-[3-(methylamino)propyl]-3-(4-nitrophenyl)urea
CID 43602363
1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea
CID 112696558
1-(4-nitrophenyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]urea
CID 18871035
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(4-nitrophenyl)urea
CID 95775457
1-(4-ethylphenyl)-3-[(4-nitrobenzoyl)amino]thiourea
CID 7988155
1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea
CID 4074557
tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate
CID 122528339
1-(4-nitrophenyl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 3099816

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea?
The IUPAC name of 1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea (CID 4982356) is 1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea is CCc1ccc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea?
The InChIKey is ZAIVOUKFPSNGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-2-11-7-8-12(23-11)13(19)16-17-14(20)15-9-3-5-10(6-4-9)18(21)22/h3-8H,2H2,1H3,(H,16,19)(H2,15,17,20).
What are the key properties of 1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea?
1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea has a molecular weight of 334.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea is sourced from PubChem (CID 4982356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).