N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide

C22H21N3O2S — CID 19712373

IUPACN-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C22H21N3O2S/c1-16(21(26)23-17-8-4-2-5-9-17)28-20-14-12-19(13-15-20)25-22(27)24-18-10-6-3-7-11-18/h2-16H,1H3,(H,23,26)(H2,24,25,27)
InChIKeyJNVRTBNCQVXTAI-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.45
Rot. Bonds6

About N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide

N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide (PubChem CID 19712373) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
PubChem CID19712373
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C22H21N3O2S/c1-16(21(26)23-17-8-4-2-5-9-17)28-20-14-12-19(13-15-20)25-22(27)24-18-10-6-3-7-11-18/h2-16H,1H3,(H,23,26)(H2,24,25,27)
InChIKeyJNVRTBNCQVXTAI-UHFFFAOYSA-N
XLogP5.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 19712403
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(4-nitrophenyl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 46553499
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 19712375
N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712386
4-[4-(1-anilino-1-oxopropan-2-yl)sulfanylanilino]-4-oxobutanoic acid
CID 22786241
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide
CID 22776010
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378
2-(4-bromophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569774
N-(1,3-benzothiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712329

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide?
The IUPAC name of N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide (CID 19712373) is N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide.
What is the SMILES notation for N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide?
The canonical SMILES for N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide is CC(Sc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide?
The InChIKey is JNVRTBNCQVXTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-16(21(26)23-17-8-4-2-5-9-17)28-20-14-12-19(13-15-20)25-22(27)24-18-10-6-3-7-11-18/h2-16H,1H3,(H,23,26)(H2,24,25,27).
What are the key properties of N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide?
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide has a molecular weight of 391.50 g/mol, XLogP of 5.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide is sourced from PubChem (CID 19712373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).