1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea

C18H12ClN5O4S2 — CID 20799933

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(-n2cnc3ccccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H12ClN5O4S2/c19-14-6-8-16(29-14)30(27,28)23-18(26)22-11-5-7-15(20-9-11)24-10-21-13-4-2-1-3-12(13)17(24)25/h1-10H,(H2,22,23,26)
InChIKeyUGKQFSYTRLKRIT-UHFFFAOYSA-N
MW461.91 g/mol
LogP3.01
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea (PubChem CID 20799933) has the molecular formula C18H12ClN5O4S2 and a molecular weight of 461.91 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea
PubChem CID20799933
Molecular FormulaC18H12ClN5O4S2
Molecular Weight461.91 g/mol
Exact Mass461.00
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(-n2cnc3ccccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H12ClN5O4S2/c19-14-6-8-16(29-14)30(27,28)23-18(26)22-11-5-7-15(20-9-11)24-10-21-13-4-2-1-3-12(13)17(24)25/h1-10H,(H2,22,23,26)
InChIKeyUGKQFSYTRLKRIT-UHFFFAOYSA-N
XLogP3.01
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea
CID 21027641
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea
CID 20799930
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea
CID 20799929
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea
CID 21027646
1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 20799313
1-[4-(6-bromo-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 20799256
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(ethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea
CID 20799951
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea
CID 20799830
1-[3-chloro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 20799150
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-6-sulfamoylquinazolin-3-yl)phenyl]urea
CID 67966335
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-[(dimethylamino)methyl]-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea
CID 20799924
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-5-iodo-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea
CID 67966461

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea (CID 20799933) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea is O=C(Nc1ccc(-n2cnc3ccccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea?
The InChIKey is UGKQFSYTRLKRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O4S2/c19-14-6-8-16(29-14)30(27,28)23-18(26)22-11-5-7-15(20-9-11)24-10-21-13-4-2-1-3-12(13)17(24)25/h1-10H,(H2,22,23,26).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea?
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea has a molecular weight of 461.91 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea is sourced from PubChem (CID 20799933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).