N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide

C30H28N2O2S — CID 18906081

IUPACN-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
SMILESCc1cccc(C)c1NC(=O)C(Sc1cccc(NC(=O)Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C30H28N2O2S/c1-21-11-9-12-22(2)28(21)32-30(34)29(24-15-7-4-8-16-24)35-26-18-10-17-25(20-26)31-27(33)19-23-13-5-3-6-14-23/h3-18,20,29H,19H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyQFFVECBSDUOUQR-UHFFFAOYSA-N
MW480.63 g/mol
LogP6.96
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide

N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide (PubChem CID 18906081) has the molecular formula C30H28N2O2S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
PubChem CID18906081
Molecular FormulaC30H28N2O2S
Molecular Weight480.63 g/mol
Exact Mass480.19
IUPAC NameN-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
SMILESCc1cccc(C)c1NC(=O)C(Sc1cccc(NC(=O)Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C30H28N2O2S/c1-21-11-9-12-22(2)28(21)32-30(34)29(24-15-7-4-8-16-24)35-26-18-10-17-25(20-26)31-27(33)19-23-13-5-3-6-14-23/h3-18,20,29H,19H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyQFFVECBSDUOUQR-UHFFFAOYSA-N
XLogP6.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906050
2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18906044
N-(2,6-dimethylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetamide
CID 19316794
N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
CID 18902594
N-[3-[2-(2-ethyl-6-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906949
3,3-dimethyl-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18907506
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 18902620
4-[[2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18902642
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(2,4-dichlorophenyl)-2-phenylacetamide
CID 18902600
N-[3-[2-(3-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901747
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
CID 18902615
ethyl 2-[[2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 18911057

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide (CID 18906081) is N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide is Cc1cccc(C)c1NC(=O)C(Sc1cccc(NC(=O)Cc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
The InChIKey is QFFVECBSDUOUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2S/c1-21-11-9-12-22(2)28(21)32-30(34)29(24-15-7-4-8-16-24)35-26-18-10-17-25(20-26)31-27(33)19-23-13-5-3-6-14-23/h3-18,20,29H,19H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide has a molecular weight of 480.63 g/mol, XLogP of 6.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 18906081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).