3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide

C14H18F2N2OS — CID 80612937

IUPAC3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide
SMILESCNc1c(F)cc(C(=O)NCC2CCCCS2)cc1F
InChIInChI=1S/C14H18F2N2OS/c1-17-13-11(15)6-9(7-12(13)16)14(19)18-8-10-4-2-3-5-20-10/h6-7,10,17H,2-5,8H2,1H3,(H,18,19)
InChIKeyBKSRAACMIYWPKS-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.02
Rot. Bonds4

About 3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide

3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide (PubChem CID 80612937) has the molecular formula C14H18F2N2OS and a molecular weight of 300.37 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide
PubChem CID80612937
Molecular FormulaC14H18F2N2OS
Molecular Weight300.37 g/mol
Exact Mass300.11
IUPAC Name3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide
SMILESCNc1c(F)cc(C(=O)NCC2CCCCS2)cc1F
InChIInChI=1S/C14H18F2N2OS/c1-17-13-11(15)6-9(7-12(13)16)14(19)18-8-10-4-2-3-5-20-10/h6-7,10,17H,2-5,8H2,1H3,(H,18,19)
InChIKeyBKSRAACMIYWPKS-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185334
2,6-dichloro-N-(thian-2-ylmethyl)pyridine-4-carboxamide
CID 80600468
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707599
5-chloro-2-fluoro-N-(thian-2-ylmethyl)benzamide
CID 80599963
3-bromo-5-chloro-N-(thian-2-ylmethyl)benzamide
CID 114020072
N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide
CID 106015415
3-amino-N-(thian-2-ylmethyl)benzamide
CID 80594846
2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 80586098
2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide
CID 81482286
N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586
4-cyano-N-(thian-2-ylmethyl)benzamide
CID 80599895

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide?
The IUPAC name of 3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide (CID 80612937) is 3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide is CNc1c(F)cc(C(=O)NCC2CCCCS2)cc1F.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide?
The InChIKey is BKSRAACMIYWPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS/c1-17-13-11(15)6-9(7-12(13)16)14(19)18-8-10-4-2-3-5-20-10/h6-7,10,17H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide?
3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide has a molecular weight of 300.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide is sourced from PubChem (CID 80612937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).