N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide

C20H25N3O2S — CID 55963798

IUPACN-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(SC(C)C)cc1
InChIInChI=1S/C20H25N3O2S/c1-13(2)21-20(25)23-18-8-6-5-7-17(18)22-19(24)15-9-11-16(12-10-15)26-14(3)4/h5-14H,1-4H3,(H,22,24)(H2,21,23,25)
InChIKeyACDFZGXARUYDNX-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.97
Rot. Bonds6

About N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide

N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide (PubChem CID 55963798) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide
PubChem CID55963798
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(SC(C)C)cc1
InChIInChI=1S/C20H25N3O2S/c1-13(2)21-20(25)23-18-8-6-5-7-17(18)22-19(24)15-9-11-16(12-10-15)26-14(3)4/h5-14H,1-4H3,(H,22,24)(H2,21,23,25)
InChIKeyACDFZGXARUYDNX-UHFFFAOYSA-N
XLogP4.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 55964825
1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea
CID 110774685
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
CID 110793142
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 55964177
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
N-methyl-4-[(E)-3-oxo-3-[2-(propan-2-ylcarbamoylamino)anilino]prop-1-enyl]benzamide
CID 98906428
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
N-(1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 8701123

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide (CID 55963798) is N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide is CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(SC(C)C)cc1.
What is the InChIKey of N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide?
The InChIKey is ACDFZGXARUYDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-13(2)21-20(25)23-18-8-6-5-7-17(18)22-19(24)15-9-11-16(12-10-15)26-14(3)4/h5-14H,1-4H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide?
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide has a molecular weight of 371.51 g/mol, XLogP of 4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 55963798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).