N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide

C14H10N2O3S2 — CID 107020171

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3cc(S)cs3)cc2C1=O
InChIInChI=1S/C14H10N2O3S2/c1-16-13(18)9-3-2-7(4-10(9)14(16)19)15-12(17)11-5-8(20)6-21-11/h2-6,20H,1H3,(H,15,17)
InChIKeyKIIPLHISXNFUPU-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.51
Rot. Bonds2

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107020171) has the molecular formula C14H10N2O3S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107020171
Molecular FormulaC14H10N2O3S2
Molecular Weight318.38 g/mol
Exact Mass318.01
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3cc(S)cs3)cc2C1=O
InChIInChI=1S/C14H10N2O3S2/c1-16-13(18)9-3-2-7(4-10(9)14(16)19)15-12(17)11-5-8(20)6-21-11/h2-6,20H,1H3,(H,15,17)
InChIKeyKIIPLHISXNFUPU-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
CID 31508122
3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258
4-fluoro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 31508762
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 110461124
2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
CID 4174312
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62808582
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,5-dinitrobenzamide
CID 4536464
4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43642778
1-ethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 24664343
2-(diethylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689236

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide (CID 107020171) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide is CN1C(=O)c2ccc(NC(=O)c3cc(S)cs3)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is KIIPLHISXNFUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S2/c1-16-13(18)9-3-2-7(4-10(9)14(16)19)15-12(17)11-5-8(20)6-21-11/h2-6,20H,1H3,(H,15,17).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107020171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).