1-(4-anilinophenyl)-3-methyl-1-sulfanylurea

C14H15N3OS — CID 88795730

IUPAC1-(4-anilinophenyl)-3-methyl-1-sulfanylurea
SMILESCNC(=O)N(S)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C14H15N3OS/c1-15-14(18)17(19)13-9-7-12(8-10-13)16-11-5-3-2-4-6-11/h2-10,16,19H,1H3,(H,15,18)
InChIKeyAPIOIDVPANPHCZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.42
Rot. Bonds3

About 1-(4-anilinophenyl)-3-methyl-1-sulfanylurea

1-(4-anilinophenyl)-3-methyl-1-sulfanylurea (PubChem CID 88795730) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(4-anilinophenyl)-3-methyl-1-sulfanylurea.

Molecular Properties

Compound Name1-(4-anilinophenyl)-3-methyl-1-sulfanylurea
PubChem CID88795730
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(4-anilinophenyl)-3-methyl-1-sulfanylurea
SMILESCNC(=O)N(S)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C14H15N3OS/c1-15-14(18)17(19)13-9-7-12(8-10-13)16-11-5-3-2-4-6-11/h2-10,16,19H,1H3,(H,15,18)
InChIKeyAPIOIDVPANPHCZ-UHFFFAOYSA-N
XLogP3.42
TPSA44.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide
CID 57046607
N-[4-[methylcarbamoyl(sulfanyl)amino]anilino]formamide
CID 88719092
1-(4-acetylphenyl)-3-methyl-1-sulfanylurea
CID 87614823
3-(3-methylphenyl)-1-phenyl-1-sulfanylurea
CID 57164193
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
4-(4-anilino-N-methylanilino)phenol
CID 143031995
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595
4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;ethane
CID 145125987
1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea
CID 88795205
N'-(4-anilinophenyl)-N'-phenylbenzohydrazide
CID 21276074
N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57262089
1-[4-anilino-N-(2-hydroxypropyl)anilino]propan-2-ol
CID 71372983

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinophenyl)-3-methyl-1-sulfanylurea?
The IUPAC name of 1-(4-anilinophenyl)-3-methyl-1-sulfanylurea (CID 88795730) is 1-(4-anilinophenyl)-3-methyl-1-sulfanylurea.
What is the SMILES notation for 1-(4-anilinophenyl)-3-methyl-1-sulfanylurea?
The canonical SMILES for 1-(4-anilinophenyl)-3-methyl-1-sulfanylurea is CNC(=O)N(S)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-anilinophenyl)-3-methyl-1-sulfanylurea?
The InChIKey is APIOIDVPANPHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-15-14(18)17(19)13-9-7-12(8-10-13)16-11-5-3-2-4-6-11/h2-10,16,19H,1H3,(H,15,18).
What are the key properties of 1-(4-anilinophenyl)-3-methyl-1-sulfanylurea?
1-(4-anilinophenyl)-3-methyl-1-sulfanylurea has a molecular weight of 273.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenyl)-3-methyl-1-sulfanylurea is sourced from PubChem (CID 88795730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).