1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea

C16H13ClN4O2S — CID 1481227

IUPAC1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN4O2S/c17-11-4-3-5-12(10-11)18-16(23)20-19-15(22)14-13(6-9-24-14)21-7-1-2-8-21/h1-10H,(H,19,22)(H2,18,20,23)
InChIKeySIQLSEUUZKAAEM-UHFFFAOYSA-N
MW360.83 g/mol
LogP3.66
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea

1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea (PubChem CID 1481227) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea
PubChem CID1481227
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC Name1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN4O2S/c17-11-4-3-5-12(10-11)18-16(23)20-19-15(22)14-13(6-9-24-14)21-7-1-2-8-21/h1-10H,(H,19,22)(H2,18,20,23)
InChIKeySIQLSEUUZKAAEM-UHFFFAOYSA-N
XLogP3.66
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24624578
N'-(3,4-dichlorophenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide
CID 2805215
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 64792811
N-(3-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751917
N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide
CID 70121238
1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 46672798
CID 73055968
CID 73055968
N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
CID 24623987
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea (CID 1481227) is 1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea is O=C(NNC(=O)c1sccc1-n1cccc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea?
The InChIKey is SIQLSEUUZKAAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c17-11-4-3-5-12(10-11)18-16(23)20-19-15(22)14-13(6-9-24-14)21-7-1-2-8-21/h1-10H,(H,19,22)(H2,18,20,23).
What are the key properties of 1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea?
1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea has a molecular weight of 360.83 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea is sourced from PubChem (CID 1481227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).