ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate

C17H18N2O4S — CID 7167179

IUPACethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)CCc1ccccc1
InChIInChI=1S/C17H18N2O4S/c1-2-23-17(22)19-15(21)13-10-11-24-16(13)18-14(20)9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyXGDIQUFGUJVTLN-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.21
Rot. Bonds6

About ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate

ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate (PubChem CID 7167179) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
PubChem CID7167179
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Nameethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)CCc1ccccc1
InChIInChI=1S/C17H18N2O4S/c1-2-23-17(22)19-15(21)13-10-11-24-16(13)18-14(20)9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyXGDIQUFGUJVTLN-UHFFFAOYSA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167092
ethyl N-(3-phenylpropanoyl)carbamate
CID 141071661
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
ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate
CID 7546528
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]thiophene-3-carbonyl]carbamate
CID 41086519
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-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581978
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142
ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate (CID 7167179) is ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)CCc1ccccc1.
What is the InChIKey of ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is XGDIQUFGUJVTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-2-23-17(22)19-15(21)13-10-11-24-16(13)18-14(20)9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate?
ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 346.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 7167179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).