N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide

C21H20N2OS — CID 1244966

IUPACN-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2OS/c1-16-7-13-20(14-8-16)25-15-21(24)23-19-11-9-18(10-12-19)22-17-5-3-2-4-6-17/h2-14,22H,15H2,1H3,(H,23,24)
InChIKeyHRMNURKNGKOFKR-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.47
Rot. Bonds6

About N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide

N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 1244966) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID1244966
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC NameN-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2OS/c1-16-7-13-20(14-8-16)25-15-21(24)23-19-11-9-18(10-12-19)22-17-5-3-2-4-6-17/h2-14,22H,15H2,1H3,(H,23,24)
InChIKeyHRMNURKNGKOFKR-UHFFFAOYSA-N
XLogP5.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
2-[[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785287
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-(3-methylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712480
N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 8752896
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7545109
N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712476
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22777218
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 1244966) is N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is HRMNURKNGKOFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-16-7-13-20(14-8-16)25-15-21(24)23-19-11-9-18(10-12-19)22-17-5-3-2-4-6-17/h2-14,22H,15H2,1H3,(H,23,24).
What are the key properties of N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 348.47 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 1244966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).