N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide

C18H14N4O3S — CID 11717581

IUPACN-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc(S(=O)c2ncccn2)cc1
InChIInChI=1S/C18H14N4O3S/c23-16(13-5-2-1-3-6-13)22-17(24)21-14-7-9-15(10-8-14)26(25)18-19-11-4-12-20-18/h1-12H,(H2,21,22,23,24)
InChIKeyAKHGCIDJALYDNS-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.61
Rot. Bonds4

About N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide

N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide (PubChem CID 11717581) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide
PubChem CID11717581
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc(S(=O)c2ncccn2)cc1
InChIInChI=1S/C18H14N4O3S/c23-16(13-5-2-1-3-6-13)22-17(24)21-14-7-9-15(10-8-14)26(25)18-19-11-4-12-20-18/h1-12H,(H2,21,22,23,24)
InChIKeyAKHGCIDJALYDNS-UHFFFAOYSA-N
XLogP2.61
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide?
The IUPAC name of N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide (CID 11717581) is N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide.
What is the SMILES notation for N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide?
The canonical SMILES for N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)Nc1ccc(S(=O)c2ncccn2)cc1.
What is the InChIKey of N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide?
The InChIKey is AKHGCIDJALYDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c23-16(13-5-2-1-3-6-13)22-17(24)21-14-7-9-15(10-8-14)26(25)18-19-11-4-12-20-18/h1-12H,(H2,21,22,23,24).
What are the key properties of N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide?
N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide has a molecular weight of 366.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrimidin-2-ylsulfinylphenyl)carbamoyl]benzamide is sourced from PubChem (CID 11717581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).