N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide

C21H16N4O2S — CID 34111218

IUPACN-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C21H16N4O2S/c22-13-14-6-1-3-10-18(14)28-19-11-4-2-9-17(19)20(26)24-15-7-5-8-16(12-15)25-21(23)27/h1-12H,(H,24,26)(H3,23,25,27)
InChIKeyDKLVHTPADNYSOS-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.45
Rot. Bonds5

About N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide

N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide (PubChem CID 34111218) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
PubChem CID34111218
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC NameN-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C21H16N4O2S/c22-13-14-6-1-3-10-18(14)28-19-11-4-2-9-17(19)20(26)24-15-7-5-8-16(12-15)25-21(23)27/h1-12H,(H,24,26)(H3,23,25,27)
InChIKeyDKLVHTPADNYSOS-UHFFFAOYSA-N
XLogP4.45
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
CID 1471282
2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
CID 43008037
[2-(2-cyanophenyl)sulfanylphenyl]urea
CID 18663341
2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide
CID 3670324
2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 60557057
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2-cyanophenyl)sulfanylbenzamide
CID 55769470
[2-(3-methylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 7832689
2-(2-cyanophenyl)sulfanyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525249
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 46531626
2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55382568
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 16529575
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide (CID 34111218) is N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide is N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(NC(N)=O)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide?
The InChIKey is DKLVHTPADNYSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c22-13-14-6-1-3-10-18(14)28-19-11-4-2-9-17(19)20(26)24-15-7-5-8-16(12-15)25-21(23)27/h1-12H,(H,24,26)(H3,23,25,27).
What are the key properties of N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide?
N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide has a molecular weight of 388.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide is sourced from PubChem (CID 34111218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).