N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide

C31H25N3O2S — CID 19712560

IUPACN-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
SMILESO=C(Nc1ccccc1)Nc1ccc(SC(C(=O)Nc2cccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C31H25N3O2S/c35-30(34-28-17-9-13-22-10-7-8-16-27(22)28)29(23-11-3-1-4-12-23)37-26-20-18-25(19-21-26)33-31(36)32-24-14-5-2-6-15-24/h1-21,29H,(H,34,35)(H2,32,33,36)
InChIKeyXZHMPDVKUKSENK-UHFFFAOYSA-N
MW503.63 g/mol
LogP7.96
Rot. Bonds7

About N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide

N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide (PubChem CID 19712560) has the molecular formula C31H25N3O2S and a molecular weight of 503.63 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
PubChem CID19712560
Molecular FormulaC31H25N3O2S
Molecular Weight503.63 g/mol
Exact Mass503.17
IUPAC NameN-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
SMILESO=C(Nc1ccccc1)Nc1ccc(SC(C(=O)Nc2cccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C31H25N3O2S/c35-30(34-28-17-9-13-22-10-7-8-16-27(22)28)29(23-11-3-1-4-12-23)37-26-20-18-25(19-21-26)33-31(36)32-24-14-5-2-6-15-24/h1-21,29H,(H,34,35)(H2,32,33,36)
InChIKeyXZHMPDVKUKSENK-UHFFFAOYSA-N
XLogP7.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.63
LogP ≤ 57.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712544
N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903197
N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908381
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
N-[(Z)-1-(4-fluorophenyl)-3-[4-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22187839
N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 23097051
N-[4-[2-(2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 22780109
N-[(Z)-3-[4-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylanilino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22188679
N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905213
4-[4-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22785130

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The IUPAC name of N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide (CID 19712560) is N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The canonical SMILES for N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide is O=C(Nc1ccccc1)Nc1ccc(SC(C(=O)Nc2cccc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The InChIKey is XZHMPDVKUKSENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O2S/c35-30(34-28-17-9-13-22-10-7-8-16-27(22)28)29(23-11-3-1-4-12-23)37-26-20-18-25(19-21-26)33-31(36)32-24-14-5-2-6-15-24/h1-21,29H,(H,34,35)(H2,32,33,36).
What are the key properties of N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide has a molecular weight of 503.63 g/mol, XLogP of 7.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 19712560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).