N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide

C15H22N2OS — CID 84593860

IUPACN,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccccc1NC1CCSCC1
InChIInChI=1S/C15H22N2OS/c1-17(2)15(18)11-12-5-3-4-6-14(12)16-13-7-9-19-10-8-13/h3-6,13,16H,7-11H2,1-2H3
InChIKeyVVGVBEKSCFIINN-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.62
Rot. Bonds4

About N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide

N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide (PubChem CID 84593860) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide
PubChem CID84593860
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccccc1NC1CCSCC1
InChIInChI=1S/C15H22N2OS/c1-17(2)15(18)11-12-5-3-4-6-14(12)16-13-7-9-19-10-8-13/h3-6,13,16H,7-11H2,1-2H3
InChIKeyVVGVBEKSCFIINN-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(thian-4-ylamino)benzamide
CID 43738379
2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
CID 47077671
N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
N,N-dimethyl-4-(thian-4-ylamino)benzamide
CID 43682033
N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]thian-4-amine
CID 84593931
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 71992527
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
CID 60577078
N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide
CID 106593826
N-[2-(trifluoromethyl)phenyl]thian-4-amine
CID 43511244
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
CID 156607502

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide (CID 84593860) is N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide is CN(C)C(=O)Cc1ccccc1NC1CCSCC1.
What is the InChIKey of N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide?
The InChIKey is VVGVBEKSCFIINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-17(2)15(18)11-12-5-3-4-6-14(12)16-13-7-9-19-10-8-13/h3-6,13,16H,7-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide?
N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide has a molecular weight of 278.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide is sourced from PubChem (CID 84593860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).