N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide

C28H25F2N3OS — CID 162717600

IUPACN-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide
SMILESCCSc1ccccc1NC(=O)CCC(c1c[nH]c2ccc(F)cc12)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C28H25F2N3OS/c1-2-35-27-6-4-3-5-26(27)33-28(34)12-9-19(22-15-31-24-10-7-17(29)13-20(22)24)23-16-32-25-11-8-18(30)14-21(23)25/h3-8,10-11,13-16,19,31-32H,2,9,12H2,1H3,(H,33,34)
InChIKeyGQOPWHWSDBEHSU-UHFFFAOYSA-N
MW489.59 g/mol
LogP7.59
Rot. Bonds8

About N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide

N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide (PubChem CID 162717600) has the molecular formula C28H25F2N3OS and a molecular weight of 489.59 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide
PubChem CID162717600
Molecular FormulaC28H25F2N3OS
Molecular Weight489.59 g/mol
Exact Mass489.17
IUPAC NameN-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide
SMILESCCSc1ccccc1NC(=O)CCC(c1c[nH]c2ccc(F)cc12)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C28H25F2N3OS/c1-2-35-27-6-4-3-5-26(27)33-28(34)12-9-19(22-15-31-24-10-7-17(29)13-20(22)24)23-16-32-25-11-8-18(30)14-21(23)25/h3-8,10-11,13-16,19,31-32H,2,9,12H2,1H3,(H,33,34)
InChIKeyGQOPWHWSDBEHSU-UHFFFAOYSA-N
XLogP7.59
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.59
LogP ≤ 57.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylsulfanylphenyl)-4,4-bis(6-fluoro-1H-indol-3-yl)butanamide
CID 162717604
N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 92684443
2-(5-fluoro-1H-indol-3-yl)hexanoic acid
CID 67748915
ethyl 4-(2-ethylsulfanylanilino)-4-oxobutanoate
CID 61061323
(5-fluoro-1H-indol-3-yl)urea
CID 167168212
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
4-(5-fluoro-1H-indol-3-yl)-2-iminopentanoic acid
CID 175239287
2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide
CID 110700282
4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
CID 79192003
ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate
CID 57300309
N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
CID 4608475
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide (CID 162717600) is N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide is CCSc1ccccc1NC(=O)CCC(c1c[nH]c2ccc(F)cc12)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide?
The InChIKey is GQOPWHWSDBEHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N3OS/c1-2-35-27-6-4-3-5-26(27)33-28(34)12-9-19(22-15-31-24-10-7-17(29)13-20(22)24)23-16-32-25-11-8-18(30)14-21(23)25/h3-8,10-11,13-16,19,31-32H,2,9,12H2,1H3,(H,33,34).
What are the key properties of N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide?
N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide has a molecular weight of 489.59 g/mol, XLogP of 7.59, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-4,4-bis(5-fluoro-1H-indol-3-yl)butanamide is sourced from PubChem (CID 162717600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).