3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide

C12H13ClN2OS2 — CID 61116379

IUPAC3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1sccc1N
InChIInChI=1S/C12H13ClN2OS2/c1-2-15(7-8-3-4-10(13)18-8)12(16)11-9(14)5-6-17-11/h3-6H,2,7,14H2,1H3
InChIKeyNYWXUHPCSBHZTI-UHFFFAOYSA-N
MW300.84 g/mol
LogP3.71
Rot. Bonds4

About 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide (PubChem CID 61116379) has the molecular formula C12H13ClN2OS2 and a molecular weight of 300.84 g/mol. Its IUPAC name is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
PubChem CID61116379
Molecular FormulaC12H13ClN2OS2
Molecular Weight300.84 g/mol
Exact Mass300.02
IUPAC Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1sccc1N
InChIInChI=1S/C12H13ClN2OS2/c1-2-15(7-8-3-4-10(13)18-8)12(16)11-9(14)5-6-17-11/h3-6H,2,7,14H2,1H3
InChIKeyNYWXUHPCSBHZTI-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide
CID 79757915
3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide
CID 103100919
3-amino-N-ethyl-N-propylthiophene-2-carboxamide
CID 61095166
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride
CID 120618102
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 39911710
N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
CID 39911714
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide (CID 61116379) is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide?
The InChIKey is NYWXUHPCSBHZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS2/c1-2-15(7-8-3-4-10(13)18-8)12(16)11-9(14)5-6-17-11/h3-6H,2,7,14H2,1H3.
What are the key properties of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide?
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide has a molecular weight of 300.84 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 61116379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).