tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate

C24H32N2O3S — CID 145232207

IUPACtert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate
SMILESCCSc1ccc(CC(=O)Nc2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H32N2O3S/c1-7-30-20-14-8-17(9-15-20)16-21(27)25-19-12-10-18(11-13-19)24(5,6)26-22(28)29-23(2,3)4/h8-15H,7,16H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyWYBMHVHVIIQBPG-UHFFFAOYSA-N
MW428.60 g/mol
LogP5.74
Rot. Bonds7

About tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate

tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate (PubChem CID 145232207) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate
PubChem CID145232207
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Nametert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate
SMILESCCSc1ccc(CC(=O)Nc2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H32N2O3S/c1-7-30-20-14-8-17(9-15-20)16-21(27)25-19-12-10-18(11-13-19)24(5,6)26-22(28)29-23(2,3)4/h8-15H,7,16H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyWYBMHVHVIIQBPG-UHFFFAOYSA-N
XLogP5.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate with MolForge

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Related Compounds

methyl 2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]-2-methylpropanoate
CID 145231777
2-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide
CID 145231841
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123763842
2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide
CID 145232045
N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206
tert-butyl N-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917028
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899
N-[4-(1,1-difluoro-2-oxoethyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide;(3E)-N-methylhexa-1,3,5-trien-3-amine
CID 145231935
N-[4-[2-(2,4-dichlorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145196889
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate (CID 145232207) is tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate is CCSc1ccc(CC(=O)Nc2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate?
The InChIKey is WYBMHVHVIIQBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-7-30-20-14-8-17(9-15-20)16-21(27)25-19-12-10-18(11-13-19)24(5,6)26-22(28)29-23(2,3)4/h8-15H,7,16H2,1-6H3,(H,25,27)(H,26,28).
What are the key properties of tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate?
tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate has a molecular weight of 428.60 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 145232207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).