2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide

C24H23F2N3O3S — CID 133161286

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)ccc21
InChIInChI=1S/C24H23F2N3O3S/c1-4-28-22-8-6-5-7-18(22)19-13-16(9-12-23(19)28)27-24(30)15(2)29(33(3,31)32)17-10-11-20(25)21(26)14-17/h5-15H,4H2,1-3H3,(H,27,30)
InChIKeyHMPPUKJRAYMGGC-UHFFFAOYSA-N
MW471.53 g/mol
LogP4.89
Rot. Bonds6

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 133161286) has the molecular formula C24H23F2N3O3S and a molecular weight of 471.53 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide
PubChem CID133161286
Molecular FormulaC24H23F2N3O3S
Molecular Weight471.53 g/mol
Exact Mass471.14
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)ccc21
InChIInChI=1S/C24H23F2N3O3S/c1-4-28-22-8-6-5-7-18(22)19-13-16(9-12-23(19)28)27-24(30)15(2)29(33(3,31)32)17-10-11-20(25)21(26)14-17/h5-15H,4H2,1-3H3,(H,27,30)
InChIKeyHMPPUKJRAYMGGC-UHFFFAOYSA-N
XLogP4.89
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 99131874
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 99131961
3-[2-(3,4-difluoro-N-methylsulfonylanilino)propanoylamino]benzamide
CID 53288438
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 99131979
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132661875
N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132663587
N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133160582
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 99131983
(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(9-ethylcarbazol-3-yl)propanamide
CID 40689904
(2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131742

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide (CID 133161286) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)C(C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)ccc21.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide?
The InChIKey is HMPPUKJRAYMGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3S/c1-4-28-22-8-6-5-7-18(22)19-13-16(9-12-23(19)28)27-24(30)15(2)29(33(3,31)32)17-10-11-20(25)21(26)14-17/h5-15H,4H2,1-3H3,(H,27,30).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 471.53 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 133161286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).