2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide

C14H11N3O2S2 — CID 154836572

IUPAC2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide
SMILESN#Cc1ccsc1NC(=O)CSc1ccccc1C(N)=O
InChIInChI=1S/C14H11N3O2S2/c15-7-9-5-6-20-14(9)17-12(18)8-21-11-4-2-1-3-10(11)13(16)19/h1-6H,8H2,(H2,16,19)(H,17,18)
InChIKeyBKCANBBBHSRUFN-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.45
Rot. Bonds5

About 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide

2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide (PubChem CID 154836572) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound Name2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide
PubChem CID154836572
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC Name2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide
SMILESN#Cc1ccsc1NC(=O)CSc1ccccc1C(N)=O
InChIInChI=1S/C14H11N3O2S2/c15-7-9-5-6-20-14(9)17-12(18)8-21-11-4-2-1-3-10(11)13(16)19/h1-6H,8H2,(H2,16,19)(H,17,18)
InChIKeyBKCANBBBHSRUFN-UHFFFAOYSA-N
XLogP2.45
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 43249184
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185
N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2390774
2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 79147880
N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682939
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
4-[(3-cyanothiophen-2-yl)amino]-4-oxo-2-phenylbutanoic acid
CID 45313303
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 55522675
N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 75495097
N-(3-cyanothiophen-2-yl)-2-[[4,5-di(propan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19717448
2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide
CID 7690351

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide (CID 154836572) is 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide is N#Cc1ccsc1NC(=O)CSc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide?
The InChIKey is BKCANBBBHSRUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c15-7-9-5-6-20-14(9)17-12(18)8-21-11-4-2-1-3-10(11)13(16)19/h1-6H,8H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide?
2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide has a molecular weight of 317.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 154836572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).