5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

C14H18ClN3O2S — CID 134014764

IUPAC5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClN3O2S/c15-13-3-2-12(21-13)14(19)18(5-1-4-16)7-6-17-8-10-20-11-9-17/h2-3H,1,5-11H2
InChIKeyUSGQSYCDPNWWNH-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.09
Rot. Bonds6

About 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 134014764) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
PubChem CID134014764
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClN3O2S/c15-13-3-2-12(21-13)14(19)18(5-1-4-16)7-6-17-8-10-20-11-9-17/h2-3H,1,5-11H2
InChIKeyUSGQSYCDPNWWNH-UHFFFAOYSA-N
XLogP2.09
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520123
2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520270
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 78799349
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78799313
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
CID 78799293
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)benzamide
CID 78799295
4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 60954321
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide
CID 60520082
3-chloro-N-(2-cyanoethyl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 62726448
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 60949224
5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 18583130
1-(2-cyanoethyl)-1-(2-morpholin-4-ylethyl)-3-(3-nitrophenyl)urea
CID 71943631

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (CID 134014764) is 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is N#CCCN(CCN1CCOCC1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is USGQSYCDPNWWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c15-13-3-2-12(21-13)14(19)18(5-1-4-16)7-6-17-8-10-20-11-9-17/h2-3H,1,5-11H2.
What are the key properties of 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 327.84 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 134014764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).