N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide

C16H20N2OS2 — CID 79211877

IUPACN-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESNC(=S)CN(C(=O)C1CSc2ccccc21)C1CCCC1
InChIInChI=1S/C16H20N2OS2/c17-15(20)9-18(11-5-1-2-6-11)16(19)13-10-21-14-8-4-3-7-12(13)14/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H2,17,20)
InChIKeyNQBUZVSNYSLKLX-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.93
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide

N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 79211877) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID79211877
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESNC(=S)CN(C(=O)C1CSc2ccccc21)C1CCCC1
InChIInChI=1S/C16H20N2OS2/c17-15(20)9-18(11-5-1-2-6-11)16(19)13-10-21-14-8-4-3-7-12(13)14/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H2,17,20)
InChIKeyNQBUZVSNYSLKLX-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211884
N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212817
2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide
CID 79221101
2-[2,3-dihydro-1-benzothiophene-3-carbonyl(methyl)amino]acetic acid
CID 79213652
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214145
cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105107396
N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213509
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119584220
N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213245
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 103915671

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 79211877) is N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide is NC(=S)CN(C(=O)C1CSc2ccccc21)C1CCCC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is NQBUZVSNYSLKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c17-15(20)9-18(11-5-1-2-6-11)16(19)13-10-21-14-8-4-3-7-12(13)14/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H2,17,20).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 79211877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).