2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide

C16H23ClN2OS — CID 43792172

IUPAC2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C16H23ClN2OS/c1-10(2)8-14(16(20)18-3)19-13-6-7-21-15-5-4-11(17)9-12(13)15/h4-5,9-10,13-14,19H,6-8H2,1-3H3,(H,18,20)
InChIKeyLIZYUKAXCHCZQR-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.63
Rot. Bonds5

About 2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide

2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide (PubChem CID 43792172) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is 2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide
PubChem CID43792172
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C16H23ClN2OS/c1-10(2)8-14(16(20)18-3)19-13-6-7-21-15-5-4-11(17)9-12(13)15/h4-5,9-10,13-14,19H,6-8H2,1-3H3,(H,18,20)
InChIKeyLIZYUKAXCHCZQR-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-propan-2-ylpropanamide
CID 115575495
(2R)-N-carbamoyl-2-[[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]propanamide
CID 32511223
6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43723344
2-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide
CID 43699787
6-chloro-N-(1-methylsulfonylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 64629732
6-chloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43786670
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(methylamino)acetamide;hydrochloride
CID 119696427
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxybutanamide
CID 47082557
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-propan-2-ylpropanamide
CID 115709094
N,4-dimethyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 81333582
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 104652539
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
CID 47371964

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide (CID 43792172) is 2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide?
The InChIKey is LIZYUKAXCHCZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-10(2)8-14(16(20)18-3)19-13-6-7-21-15-5-4-11(17)9-12(13)15/h4-5,9-10,13-14,19H,6-8H2,1-3H3,(H,18,20).
What are the key properties of 2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide?
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide has a molecular weight of 326.89 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide is sourced from PubChem (CID 43792172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).