ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate

C18H27N3O4S — CID 8792343

IUPACethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)N(C)Cc1ccc(SC)cc1
InChIInChI=1S/C18H27N3O4S/c1-5-21(12-16(22)19-18(24)25-6-2)13-17(23)20(3)11-14-7-9-15(26-4)10-8-14/h7-10H,5-6,11-13H2,1-4H3,(H,19,22,24)
InChIKeyQIIGCYSBWXUWCL-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.96
Rot. Bonds9

About ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate

ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate (PubChem CID 8792343) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate
PubChem CID8792343
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Nameethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)N(C)Cc1ccc(SC)cc1
InChIInChI=1S/C18H27N3O4S/c1-5-21(12-16(22)19-18(24)25-6-2)13-17(23)20(3)11-14-7-9-15(26-4)10-8-14/h7-10H,5-6,11-13H2,1-4H3,(H,19,22,24)
InChIKeyQIIGCYSBWXUWCL-UHFFFAOYSA-N
XLogP1.96
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate with MolForge

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Related Compounds

ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905436
[2-(ethoxycarbonylamino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9198856
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507633
3-amino-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea
CID 115192806
3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115139196
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-sulfanylpropanamide
CID 115167959
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792471
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 8680482
ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905214
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 78963094
(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 61163105

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate (CID 8792343) is ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CC(=O)N(C)Cc1ccc(SC)cc1.
What is the InChIKey of ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate?
The InChIKey is QIIGCYSBWXUWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-5-21(12-16(22)19-18(24)25-6-2)13-17(23)20(3)11-14-7-9-15(26-4)10-8-14/h7-10H,5-6,11-13H2,1-4H3,(H,19,22,24).
What are the key properties of ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate?
ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate has a molecular weight of 381.50 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[ethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]amino]acetyl]carbamate is sourced from PubChem (CID 8792343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).