ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate

C18H22N2O4S — CID 8919558

IUPACethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)CN[C@@H](C)c1ccco1
InChIInChI=1S/C18H22N2O4S/c1-3-23-18(22)16-13(12-6-7-12)10-25-17(16)20-15(21)9-19-11(2)14-5-4-8-24-14/h4-5,8,10-12,19H,3,6-7,9H2,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyLDGUBKPWKDTARV-NSHDSACASA-N
MW362.45 g/mol
LogP3.68
Rot. Bonds8

About ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate (PubChem CID 8919558) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate
PubChem CID8919558
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Nameethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)CN[C@@H](C)c1ccco1
InChIInChI=1S/C18H22N2O4S/c1-3-23-18(22)16-13(12-6-7-12)10-25-17(16)20-15(21)9-19-11(2)14-5-4-8-24-14/h4-5,8,10-12,19H,3,6-7,9H2,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyLDGUBKPWKDTARV-NSHDSACASA-N
XLogP3.68
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 8919026
ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl 2-(2-bromopropanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 114014241
ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate
CID 112771105
ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 3575199
ethyl 4-cyclopropyl-2-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxylate
CID 78780003
ethyl 4-cyclopropyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 51535452
3-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114897050
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 79011924
ethyl 4-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]thiophene-3-carboxylate
CID 78908249
ethyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 55755588
ethyl 4-cyclopropyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate
CID 8689038

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate (CID 8919558) is ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)CN[C@@H](C)c1ccco1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is LDGUBKPWKDTARV-NSHDSACASA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-3-23-18(22)16-13(12-6-7-12)10-25-17(16)20-15(21)9-19-11(2)14-5-4-8-24-14/h4-5,8,10-12,19H,3,6-7,9H2,1-2H3,(H,20,21)/t11-/m0/s1.
What are the key properties of ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 362.45 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 8919558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).