4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide

C19H25N3OS — CID 134929781

IUPAC4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N(C)C)cc1Sc1cccc(N(C)C)c1
InChIInChI=1S/C19H25N3OS/c1-20(2)14-8-7-9-16(12-14)24-18-13-15(21(3)4)10-11-17(18)19(23)22(5)6/h7-13H,1-6H3
InChIKeyGSFOFGIVDFGQHS-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.67
Rot. Bonds5

About 4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide

4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide (PubChem CID 134929781) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide
PubChem CID134929781
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N(C)C)cc1Sc1cccc(N(C)C)c1
InChIInChI=1S/C19H25N3OS/c1-20(2)14-8-7-9-16(12-14)24-18-13-15(21(3)4)10-11-17(18)19(23)22(5)6/h7-13H,1-6H3
InChIKeyGSFOFGIVDFGQHS-UHFFFAOYSA-N
XLogP3.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide?
The IUPAC name of 4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide (CID 134929781) is 4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide?
The canonical SMILES for 4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N(C)C)cc1Sc1cccc(N(C)C)c1.
What is the InChIKey of 4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide?
The InChIKey is GSFOFGIVDFGQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-20(2)14-8-7-9-16(12-14)24-18-13-15(21(3)4)10-11-17(18)19(23)22(5)6/h7-13H,1-6H3.
What are the key properties of 4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide?
4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide has a molecular weight of 343.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-[3-(dimethylamino)phenyl]sulfanyl-N,N-dimethylbenzamide is sourced from PubChem (CID 134929781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).