N-[4-(phenylcarbamothioylamino)phenyl]benzamide

C20H17N3OS — CID 17235348

IUPACN-[4-(phenylcarbamothioylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=S)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H17N3OS/c24-19(15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)23-20(25)22-16-9-5-2-6-10-16/h1-14H,(H,21,24)(H2,22,23,25)
InChIKeyCKXNZVRHGZOIPC-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.75
Rot. Bonds4

About N-[4-(phenylcarbamothioylamino)phenyl]benzamide

N-[4-(phenylcarbamothioylamino)phenyl]benzamide (PubChem CID 17235348) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[4-(phenylcarbamothioylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(phenylcarbamothioylamino)phenyl]benzamide
PubChem CID17235348
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-[4-(phenylcarbamothioylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=S)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H17N3OS/c24-19(15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)23-20(25)22-16-9-5-2-6-10-16/h1-14H,(H,21,24)(H2,22,23,25)
InChIKeyCKXNZVRHGZOIPC-UHFFFAOYSA-N
XLogP4.75
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

molecular hydrogen;N-phenylbenzamide
CID 145238042
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-(3-methylphenyl)-3-(phenylcarbamothioylamino)benzamide
CID 26164526
N-[4-(benzoylcarbamothioylamino)phenyl]-4-tert-butylbenzamide
CID 1348500
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
3-(benzoylcarbamothioylamino)-N-(4-fluorophenyl)benzamide
CID 26159726
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide
CID 978368
N-[4-(sulfanylmethyl)phenyl]benzamide
CID 130322927
N-(4-anilinophenyl)-4-carbamothioylbenzamide
CID 60559112

Frequently Asked Questions

What is the IUPAC name of N-[4-(phenylcarbamothioylamino)phenyl]benzamide?
The IUPAC name of N-[4-(phenylcarbamothioylamino)phenyl]benzamide (CID 17235348) is N-[4-(phenylcarbamothioylamino)phenyl]benzamide.
What is the SMILES notation for N-[4-(phenylcarbamothioylamino)phenyl]benzamide?
The canonical SMILES for N-[4-(phenylcarbamothioylamino)phenyl]benzamide is O=C(Nc1ccc(NC(=S)Nc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(phenylcarbamothioylamino)phenyl]benzamide?
The InChIKey is CKXNZVRHGZOIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-19(15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)23-20(25)22-16-9-5-2-6-10-16/h1-14H,(H,21,24)(H2,22,23,25).
What are the key properties of N-[4-(phenylcarbamothioylamino)phenyl]benzamide?
N-[4-(phenylcarbamothioylamino)phenyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 4.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(phenylcarbamothioylamino)phenyl]benzamide is sourced from PubChem (CID 17235348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).