ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate

C17H18N2O5S — CID 8719049

IUPACethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H18N2O5S/c1-3-24-17(22)19-15(21)13-8-9-25-16(13)18-14(20)10-11-4-6-12(23-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyJZLXXOXAXNSXNK-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.82
Rot. Bonds6

About ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate (PubChem CID 8719049) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
PubChem CID8719049
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Nameethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H18N2O5S/c1-3-24-17(22)19-15(21)13-8-9-25-16(13)18-14(20)10-11-4-6-12(23-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyJZLXXOXAXNSXNK-UHFFFAOYSA-N
XLogP2.82
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.82
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
ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167179
methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate
CID 41320632
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159
ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581978
ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate
CID 121464913
methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 17144313
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142
ethyl N-[2-[[hydroxy-(5-methoxy-1,3-benzothiazol-2-yl)methyl]amino]thiophene-3-carbonyl]carbamate
CID 144749011

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate (CID 8719049) is ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate?
The InChIKey is JZLXXOXAXNSXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-3-24-17(22)19-15(21)13-8-9-25-16(13)18-14(20)10-11-4-6-12(23-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate has a molecular weight of 362.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 8719049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).