N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide

C19H23FN2O3S — CID 44580809

IUPACN,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H23FN2O3S/c1-4-21(5-2)19(23)14-22(17-11-9-15(3)10-12-17)26(24,25)18-8-6-7-16(20)13-18/h6-13H,4-5,14H2,1-3H3
InChIKeyIDGKPFDIDHMPNS-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.20
Rot. Bonds7

About N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide

N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 44580809) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID44580809
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H23FN2O3S/c1-4-21(5-2)19(23)14-22(17-11-9-15(3)10-12-17)26(24,25)18-8-6-7-16(20)13-18/h6-13H,4-5,14H2,1-3H3
InChIKeyIDGKPFDIDHMPNS-UHFFFAOYSA-N
XLogP3.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide (CID 44580809) is N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide is CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is IDGKPFDIDHMPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-4-21(5-2)19(23)14-22(17-11-9-15(3)10-12-17)26(24,25)18-8-6-7-16(20)13-18/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide?
N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 378.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(N-(3-fluorophenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 44580809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).