ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate

C17H17FN2O4S2 — CID 7546528

IUPACethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O4S2/c1-2-24-17(23)20-15(22)13-7-9-26-16(13)19-14(21)8-10-25-12-5-3-11(18)4-6-12/h3-7,9H,2,8,10H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyQTKLEEKSJKSLTQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.89
Rot. Bonds7

About ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate (PubChem CID 7546528) has the molecular formula C17H17FN2O4S2 and a molecular weight of 396.47 g/mol. Its IUPAC name is ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate
PubChem CID7546528
Molecular FormulaC17H17FN2O4S2
Molecular Weight396.47 g/mol
Exact Mass396.06
IUPAC Nameethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O4S2/c1-2-24-17(23)20-15(22)13-7-9-26-16(13)19-14(21)8-10-25-12-5-3-11(18)4-6-12/h3-7,9H,2,8,10H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyQTKLEEKSJKSLTQ-UHFFFAOYSA-N
XLogP3.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]thiophene-3-carbonyl]carbamate
CID 41086519
methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate
CID 7546520
2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 7254924
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167179
ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate
CID 2635095
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159
ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
CID 8719049
N-methyl-2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxamide
CID 41085896
ethyl (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoate
CID 94194015
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate (CID 7546528) is ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate?
The InChIKey is QTKLEEKSJKSLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S2/c1-2-24-17(23)20-15(22)13-7-9-26-16(13)19-14(21)8-10-25-12-5-3-11(18)4-6-12/h3-7,9H,2,8,10H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate has a molecular weight of 396.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 7546528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).