2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide

C30H31N3OS — CID 175922151

IUPAC2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide
SMILESCCSc1ccccc1C(CC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12)C(N)=O
InChIInChI=1S/C30H31N3OS/c1-4-35-29-16-10-7-13-22(29)24(30(31)34)17-23(25-18-32(2)27-14-8-5-11-20(25)27)26-19-33(3)28-15-9-6-12-21(26)28/h5-16,18-19,23-24H,4,17H2,1-3H3,(H2,31,34)
InChIKeyRSDKZTHMFLYVSV-UHFFFAOYSA-N
MW481.67 g/mol
LogP6.57
Rot. Bonds8

About 2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide

2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide (PubChem CID 175922151) has the molecular formula C30H31N3OS and a molecular weight of 481.67 g/mol. Its IUPAC name is 2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide.

Molecular Properties

Compound Name2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide
PubChem CID175922151
Molecular FormulaC30H31N3OS
Molecular Weight481.67 g/mol
Exact Mass481.22
IUPAC Name2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide
SMILESCCSc1ccccc1C(CC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12)C(N)=O
InChIInChI=1S/C30H31N3OS/c1-4-35-29-16-10-7-13-22(29)24(30(31)34)17-23(25-18-32(2)27-14-8-5-11-20(25)27)26-19-33(3)28-15-9-6-12-21(26)28/h5-16,18-19,23-24H,4,17H2,1-3H3,(H2,31,34)
InChIKeyRSDKZTHMFLYVSV-UHFFFAOYSA-N
XLogP6.57
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.67
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide?
The IUPAC name of 2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide (CID 175922151) is 2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide.
What is the SMILES notation for 2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide?
The canonical SMILES for 2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide is CCSc1ccccc1C(CC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12)C(N)=O.
What is the InChIKey of 2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide?
The InChIKey is RSDKZTHMFLYVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3OS/c1-4-35-29-16-10-7-13-22(29)24(30(31)34)17-23(25-18-32(2)27-14-8-5-11-20(25)27)26-19-33(3)28-15-9-6-12-21(26)28/h5-16,18-19,23-24H,4,17H2,1-3H3,(H2,31,34).
What are the key properties of 2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide?
2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide has a molecular weight of 481.67 g/mol, XLogP of 6.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylphenyl)-4,4-bis(1-methylindol-3-yl)butanamide is sourced from PubChem (CID 175922151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).