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

C16H16N2O4S — CID 7167092

IUPACmethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)CCc1ccccc1
InChIInChI=1S/C16H16N2O4S/c1-22-16(21)18-14(20)12-9-10-23-15(12)17-13(19)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyGTYYSAMWXWYXBO-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.82
Rot. Bonds5

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

methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate (PubChem CID 7167092) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
PubChem CID7167092
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Namemethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)CCc1ccccc1
InChIInChI=1S/C16H16N2O4S/c1-22-16(21)18-14(20)12-9-10-23-15(12)17-13(19)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyGTYYSAMWXWYXBO-UHFFFAOYSA-N
XLogP2.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167179
ethyl 4-(methoxycarbonylcarbamoyl)-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate
CID 7521366
2-[3-(4-bromophenyl)propanoylamino]thiophene-3-carboxylic acid
CID 69408719
2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid
CID 113269888
methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate
CID 41320632
methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192458
methyl N-[2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate
CID 7167096
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3961443
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl N-[2-[(2,4-dimethoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167041
2-[3-(3-chloro-4-methylphenyl)propanoylamino]thiophene-3-carboxylic acid
CID 43357356
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate (CID 7167092) is methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate is COC(=O)NC(=O)c1ccsc1NC(=O)CCc1ccccc1.
What is the InChIKey of methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is GTYYSAMWXWYXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-22-16(21)18-14(20)12-9-10-23-15(12)17-13(19)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate?
methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 332.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 7167092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).