2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide

C18H25N3O4S — CID 156745127

IUPAC2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide
SMILESCCCC(NC(=O)c1c(NC(C)=O)sc(C2CC2)c1CC)C(=O)NC=O
InChIInChI=1S/C18H25N3O4S/c1-4-6-13(16(24)19-9-22)21-17(25)14-12(5-2)15(11-7-8-11)26-18(14)20-10(3)23/h9,11,13H,4-8H2,1-3H3,(H,20,23)(H,21,25)(H,19,22,24)
InChIKeyNJHXNALHSCEJPY-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.32
Rot. Bonds9

About 2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide

2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide (PubChem CID 156745127) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide
PubChem CID156745127
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide
SMILESCCCC(NC(=O)c1c(NC(C)=O)sc(C2CC2)c1CC)C(=O)NC=O
InChIInChI=1S/C18H25N3O4S/c1-4-6-13(16(24)19-9-22)21-17(25)14-12(5-2)15(11-7-8-11)26-18(14)20-10(3)23/h9,11,13H,4-8H2,1-3H3,(H,20,23)(H,21,25)(H,19,22,24)
InChIKeyNJHXNALHSCEJPY-UHFFFAOYSA-N
XLogP2.32
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Methyl [3-(cyclopropylcarbamoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamate
CID 1247559
1-(cyclopropanecarbonyl)-N-[3-(2-methoxyethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrrolidine-2-carboxamide
CID 71452296
N-(cyclopropylmethyl)-2-(3,3-dimethylbutanoylamino)-4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophene-3-carboxamide
CID 71452368
2-isobutyramido-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475023
2-(Cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 1222492
2-acetamido-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1120919
2-Propionamido-N,N-dipropyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1350739
2-[[2-[Cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 1460374
2-[2-(Cyclohexyl-propionyl-amino)-acetylamino]-4,5-dimethyl-thiophene-3-carboxylic acid amide
CID 1460375
2-{2-[cyclopropyl-N-benzylcarbonylamino]acetylamino}-4,5-dimethylthiophene-3-c arboxamide
CID 1460393
2-(2-(2,5-dioxopyrrolidin-1-yl)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4580816
1-acetyl-N-[3-(cyclopropylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide
CID 17148766

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide (CID 156745127) is 2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide is CCCC(NC(=O)c1c(NC(C)=O)sc(C2CC2)c1CC)C(=O)NC=O.
What is the InChIKey of 2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide?
The InChIKey is NJHXNALHSCEJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-4-6-13(16(24)19-9-22)21-17(25)14-12(5-2)15(11-7-8-11)26-18(14)20-10(3)23/h9,11,13H,4-8H2,1-3H3,(H,20,23)(H,21,25)(H,19,22,24).
What are the key properties of 2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide?
2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 2.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 156745127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).