methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate

C16H16N2O5S — CID 7167057

IUPACmethyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C16H16N2O5S/c1-22-16(21)18-14(20)12-8-10-24-15(12)17-13(19)7-9-23-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyUPHOBFCGVIBZTL-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.65
Rot. Bonds6

About methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate

methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate (PubChem CID 7167057) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate
PubChem CID7167057
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namemethyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C16H16N2O5S/c1-22-16(21)18-14(20)12-8-10-24-15(12)17-13(19)7-9-23-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyUPHOBFCGVIBZTL-UHFFFAOYSA-N
XLogP2.65
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167092
methyl N-(3-phenoxypropanoyl)carbamate
CID 15317639
methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167065
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-phenoxybutanoate
CID 3905587
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
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide
CID 60590919
ethyl N-[2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]thiophene-3-carbonyl]carbamate
CID 41086519
methyl N-[2-[(2,4-dimethoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167041
N-methyl-2-(4-phenylsulfanylbutanoylamino)thiophene-3-carboxamide
CID 41085896
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 59781241

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate (CID 7167057) is methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate is COC(=O)NC(=O)c1ccsc1NC(=O)CCOc1ccccc1.
What is the InChIKey of methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is UPHOBFCGVIBZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-22-16(21)18-14(20)12-8-10-24-15(12)17-13(19)7-9-23-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate?
methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 348.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 7167057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).