methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate

C16H18N2O3S — CID 58125365

IUPACmethyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate
SMILESCNc1ccsc1C(=O)N[C@@H](C)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H18N2O3S/c1-10(11-4-6-12(7-5-11)16(20)21-3)18-15(19)14-13(17-2)8-9-22-14/h4-10,17H,1-3H3,(H,18,19)/t10-/m0/s1
InChIKeyWRXWIJONTVFWST-JTQLQIEISA-N
MW318.40 g/mol
LogP3.07
Rot. Bonds5

About methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate

methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate (PubChem CID 58125365) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate
PubChem CID58125365
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Namemethyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate
SMILESCNc1ccsc1C(=O)N[C@@H](C)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H18N2O3S/c1-10(11-4-6-12(7-5-11)16(20)21-3)18-15(19)14-13(17-2)8-9-22-14/h4-10,17H,1-3H3,(H,18,19)/t10-/m0/s1
InChIKeyWRXWIJONTVFWST-JTQLQIEISA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate with MolForge

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Related Compounds

methyl 4-[(1S)-1-[[3-(methylamino)-1-benzothiophene-2-carbonyl]amino]ethyl]benzoate
CID 58306773
3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47234202
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 123197018
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
methyl 4-[1-(ethylamino)ethyl]benzoate
CID 170764116
methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
CID 7167229
methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 163364958
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 51146589
methyl 4-[(1S)-1-[(1-methyl-2,3-dihydroindole-7-carbonyl)amino]ethyl]benzoate
CID 70896834

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate?
The IUPAC name of methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate (CID 58125365) is methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate is CNc1ccsc1C(=O)N[C@@H](C)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate?
The InChIKey is WRXWIJONTVFWST-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10(11-4-6-12(7-5-11)16(20)21-3)18-15(19)14-13(17-2)8-9-22-14/h4-10,17H,1-3H3,(H,18,19)/t10-/m0/s1.
What are the key properties of methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate?
methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate has a molecular weight of 318.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1S)-1-[[3-(methylamino)thiophene-2-carbonyl]amino]ethyl]benzoate is sourced from PubChem (CID 58125365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).