N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide

C29H28FN5O3S — CID 121272619

IUPACN-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
SMILES[H]N=S(=O)(c1ccc(-c2ccc(CNC(=O)Cn3c(-c4ncco4)cc4cc(F)ccc43)nc2)cc1)C(C)(C)C
InChIInChI=1S/C29H28FN5O3S/c1-29(2,3)39(31,37)24-9-5-19(6-10-24)20-4-8-23(33-16-20)17-34-27(36)18-35-25-11-7-22(30)14-21(25)15-26(35)28-32-12-13-38-28/h4-16,31H,17-18H2,1-3H3,(H,34,36)
InChIKeyAGPLUAZJKGRDAN-UHFFFAOYSA-N
MW545.64 g/mol
LogP6.02
Rot. Bonds7

About N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide

N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide (PubChem CID 121272619) has the molecular formula C29H28FN5O3S and a molecular weight of 545.64 g/mol. Its IUPAC name is N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
PubChem CID121272619
Molecular FormulaC29H28FN5O3S
Molecular Weight545.64 g/mol
Exact Mass545.19
IUPAC NameN-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
SMILES[H]N=S(=O)(c1ccc(-c2ccc(CNC(=O)Cn3c(-c4ncco4)cc4cc(F)ccc43)nc2)cc1)C(C)(C)C
InChIInChI=1S/C29H28FN5O3S/c1-29(2,3)39(31,37)24-9-5-19(6-10-24)20-4-8-23(33-16-20)17-34-27(36)18-35-25-11-7-22(30)14-21(25)15-26(35)28-32-12-13-38-28/h4-16,31H,17-18H2,1-3H3,(H,34,36)
InChIKeyAGPLUAZJKGRDAN-UHFFFAOYSA-N
XLogP6.02
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.64
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide 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

CID 146446513
CID 146446513
CID 162773065
CID 162773065
CID 137660998
CID 137660998
CID 24991525
CID 24991525
CID 67043673
CID 67043673
CID 68588109
CID 68588109
CID 117864917
CID 117864917
CID 118382295
CID 118382295
CID 121272509
CID 121272509
CID 121272512
CID 121272512
CID 121272560
CID 121272560
CID 121272566
CID 121272566

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide (CID 121272619) is N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide is [H]N=S(=O)(c1ccc(-c2ccc(CNC(=O)Cn3c(-c4ncco4)cc4cc(F)ccc43)nc2)cc1)C(C)(C)C.
What is the InChIKey of N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
The InChIKey is AGPLUAZJKGRDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O3S/c1-29(2,3)39(31,37)24-9-5-19(6-10-24)20-4-8-23(33-16-20)17-34-27(36)18-35-25-11-7-22(30)14-21(25)15-26(35)28-32-12-13-38-28/h4-16,31H,17-18H2,1-3H3,(H,34,36).
What are the key properties of N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide has a molecular weight of 545.64 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(tert-butylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 121272619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).