3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide

C18H24N4O2S2 — CID 134057478

IUPAC3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)NCC(c1cccs1)N1CCCC1)c1cccs1
InChIInChI=1S/C18H24N4O2S2/c19-18(24)21-13(15-5-3-9-25-15)11-17(23)20-12-14(16-6-4-10-26-16)22-7-1-2-8-22/h3-6,9-10,13-14H,1-2,7-8,11-12H2,(H,20,23)(H3,19,21,24)
InChIKeyYJOQMVAGUHARPK-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.86
Rot. Bonds8

About 3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide (PubChem CID 134057478) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
PubChem CID134057478
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC Name3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)NCC(c1cccs1)N1CCCC1)c1cccs1
InChIInChI=1S/C18H24N4O2S2/c19-18(24)21-13(15-5-3-9-25-15)11-17(23)20-12-14(16-6-4-10-26-16)22-7-1-2-8-22/h3-6,9-10,13-14H,1-2,7-8,11-12H2,(H,20,23)(H3,19,21,24)
InChIKeyYJOQMVAGUHARPK-UHFFFAOYSA-N
XLogP2.86
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 60551889
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide
CID 134057065
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 119407113
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
[3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea
CID 42931435
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 97078924
2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide
CID 134057464
2-[acetyl(methyl)amino]-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 94091306

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide (CID 134057478) is 3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide is NC(=O)NC(CC(=O)NCC(c1cccs1)N1CCCC1)c1cccs1.
What is the InChIKey of 3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide?
The InChIKey is YJOQMVAGUHARPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c19-18(24)21-13(15-5-3-9-25-15)11-17(23)20-12-14(16-6-4-10-26-16)22-7-1-2-8-22/h3-6,9-10,13-14H,1-2,7-8,11-12H2,(H,20,23)(H3,19,21,24).
What are the key properties of 3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide has a molecular weight of 392.55 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 134057478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).