4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide

C20H14ClN5O2S — CID 141356993

IUPAC4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide
SMILESNC(=O)c1ccc(-c2csc3c(NC(=O)Nc4cccc(Cl)c4)ncnc23)cc1
InChIInChI=1S/C20H14ClN5O2S/c21-13-2-1-3-14(8-13)25-20(28)26-19-17-16(23-10-24-19)15(9-29-17)11-4-6-12(7-5-11)18(22)27/h1-10H,(H2,22,27)(H2,23,24,25,26,28)
InChIKeyNWMQJJWEAMTVPY-UHFFFAOYSA-N
MW423.89 g/mol
LogP4.75
Rot. Bonds4

About 4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide

4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide (PubChem CID 141356993) has the molecular formula C20H14ClN5O2S and a molecular weight of 423.89 g/mol. Its IUPAC name is 4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound Name4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide
PubChem CID141356993
Molecular FormulaC20H14ClN5O2S
Molecular Weight423.89 g/mol
Exact Mass423.06
IUPAC Name4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide
SMILESNC(=O)c1ccc(-c2csc3c(NC(=O)Nc4cccc(Cl)c4)ncnc23)cc1
InChIInChI=1S/C20H14ClN5O2S/c21-13-2-1-3-14(8-13)25-20(28)26-19-17-16(23-10-24-19)15(9-29-17)11-4-6-12(7-5-11)18(22)27/h1-10H,(H2,22,27)(H2,23,24,25,26,28)
InChIKeyNWMQJJWEAMTVPY-UHFFFAOYSA-N
XLogP4.75
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.89
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]phenyl]propanoic acid
CID 86722499
3-[4-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]thieno[3,2-d]pyrimidin-7-yl]phenyl]-2-methylpropanoic acid
CID 90199267
1-[4-[4-amino-7-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-chlorophenyl)urea
CID 18450970
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3-chlorophenyl)urea
CID 69054409
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-chlorophenyl)urea
CID 69056238
1-[4-(3-amino-1,2-benzothiazol-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 66681363
CID 73055968
CID 73055968
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
3-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 20997842
1-(3-chlorophenyl)-3-[(Z)-N-hydroxy-C-pyridin-4-ylcarbonimidoyl]urea
CID 170856312

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide?
The IUPAC name of 4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide (CID 141356993) is 4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for 4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for 4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide is NC(=O)c1ccc(-c2csc3c(NC(=O)Nc4cccc(Cl)c4)ncnc23)cc1.
What is the InChIKey of 4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide?
The InChIKey is NWMQJJWEAMTVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O2S/c21-13-2-1-3-14(8-13)25-20(28)26-19-17-16(23-10-24-19)15(9-29-17)11-4-6-12(7-5-11)18(22)27/h1-10H,(H2,22,27)(H2,23,24,25,26,28).
What are the key properties of 4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide?
4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide has a molecular weight of 423.89 g/mol, XLogP of 4.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-chlorophenyl)carbamoylamino]thieno[3,2-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 141356993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).