2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide

C19H24N4O2S — CID 67078144

IUPAC2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide
SMILESCCN1CCCC(NC(=O)c2cc(-c3ccccc3)sc2NC(N)=O)C1
InChIInChI=1S/C19H24N4O2S/c1-2-23-10-6-9-14(12-23)21-17(24)15-11-16(13-7-4-3-5-8-13)26-18(15)22-19(20)25/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,21,24)(H3,20,22,25)
InChIKeyWVODRLOCFCHPBU-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.12
Rot. Bonds5

About 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide

2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide (PubChem CID 67078144) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide
PubChem CID67078144
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide
SMILESCCN1CCCC(NC(=O)c2cc(-c3ccccc3)sc2NC(N)=O)C1
InChIInChI=1S/C19H24N4O2S/c1-2-23-10-6-9-14(12-23)21-17(24)15-11-16(13-7-4-3-5-8-13)26-18(15)22-19(20)25/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,21,24)(H3,20,22,25)
InChIKeyWVODRLOCFCHPBU-UHFFFAOYSA-N
XLogP3.12
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide
CID 75070149
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate
CID 69153019
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 174506569
(3R)-3-[[2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophene-3-carbonyl]amino]piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 68959524
2-(carbamoylamino)-5-(3-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 44560523
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
(3S)-2-tert-butyl-3-[[2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carbonyl]amino]piperidine-1-carboxylic acid
CID 69270422
2-(carbamoylamino)-5-(4-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11349000
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9169110
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide (CID 67078144) is 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide is CCN1CCCC(NC(=O)c2cc(-c3ccccc3)sc2NC(N)=O)C1.
What is the InChIKey of 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide?
The InChIKey is WVODRLOCFCHPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-2-23-10-6-9-14(12-23)21-17(24)15-11-16(13-7-4-3-5-8-13)26-18(15)22-19(20)25/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,21,24)(H3,20,22,25).
What are the key properties of 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide?
2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 67078144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).