methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate

C15H17NO4S — CID 97306358

IUPACmethyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(C(=O)N(C)[C@@H](C)Cc2cccs2)c1
InChIInChI=1S/C15H17NO4S/c1-10(7-12-5-4-6-21-12)16(2)14(17)13-8-11(9-20-13)15(18)19-3/h4-6,8-10H,7H2,1-3H3/t10-/m0/s1
InChIKeySZVNUVOCGKNTBR-JTQLQIEISA-N
MW307.37 g/mol
LogP2.83
Rot. Bonds5

About methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate

methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate (PubChem CID 97306358) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate
PubChem CID97306358
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Namemethyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(C(=O)N(C)[C@@H](C)Cc2cccs2)c1
InChIInChI=1S/C15H17NO4S/c1-10(7-12-5-4-6-21-12)16(2)14(17)13-8-11(9-20-13)15(18)19-3/h4-6,8-10H,7H2,1-3H3/t10-/m0/s1
InChIKeySZVNUVOCGKNTBR-JTQLQIEISA-N
XLogP2.83
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate with MolForge

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Related Compounds

4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103755734
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
4-hydrazinyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79487999
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991
2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 79488505
4-hydroxy-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103865710
3-methoxy-4-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 103159623
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 113255783
5-chloro-N-methyl-6-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 79489198
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673594

Frequently Asked Questions

What is the IUPAC name of methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate (CID 97306358) is methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate is COC(=O)c1coc(C(=O)N(C)[C@@H](C)Cc2cccs2)c1.
What is the InChIKey of methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate?
The InChIKey is SZVNUVOCGKNTBR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17NO4S/c1-10(7-12-5-4-6-21-12)16(2)14(17)13-8-11(9-20-13)15(18)19-3/h4-6,8-10H,7H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate?
methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate is sourced from PubChem (CID 97306358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).