2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide

C25H27N3O2S — CID 19712403

IUPAC2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(Sc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C25H27N3O2S/c1-17(2)19-9-11-21(12-10-19)26-24(29)18(3)31-23-15-13-22(14-16-23)28-25(30)27-20-7-5-4-6-8-20/h4-18H,1-3H3,(H,26,29)(H2,27,28,30)
InChIKeyPXVKPSLIQHNEQV-UHFFFAOYSA-N
MW433.58 g/mol
LogP6.57
Rot. Bonds7

About 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide

2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 19712403) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
PubChem CID19712403
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(Sc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C25H27N3O2S/c1-17(2)19-9-11-21(12-10-19)26-24(29)18(3)31-23-15-13-22(14-16-23)28-25(30)27-20-7-5-4-6-8-20/h4-18H,1-3H3,(H,26,29)(H2,27,28,30)
InChIKeyPXVKPSLIQHNEQV-UHFFFAOYSA-N
XLogP6.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 56.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(4-nitrophenyl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 46553499
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 22782289
N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712386
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 19712375
N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 19629770
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378
1-[[(2S)-2-phenylsulfanylpropanoyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9157618
1-[[(2R)-2-phenylsulfanylpropanoyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9157616
3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 22776030

Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide (CID 19712403) is 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide is CC(Sc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is PXVKPSLIQHNEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-17(2)19-9-11-21(12-10-19)26-24(29)18(3)31-23-15-13-22(14-16-23)28-25(30)27-20-7-5-4-6-8-20/h4-18H,1-3H3,(H,26,29)(H2,27,28,30).
What are the key properties of 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide?
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 433.58 g/mol, XLogP of 6.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 19712403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).