N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide

C23H24N4O4S — CID 110501459

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c(C)c2ccccc21
InChIInChI=1S/C23H24N4O4S/c1-5-27-20-9-7-6-8-19(20)15(3)21(27)22(28)24-17-10-12-18(13-11-17)32(29,30)26-23-14(2)16(4)25-31-23/h6-13,26H,5H2,1-4H3,(H,24,28)
InChIKeyXIIPFIQWFUJYEC-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.63
Rot. Bonds6

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110501459) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110501459
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c(C)c2ccccc21
InChIInChI=1S/C23H24N4O4S/c1-5-27-20-9-7-6-8-19(20)15(3)21(27)22(28)24-17-10-12-18(13-11-17)32(29,30)26-23-14(2)16(4)25-31-23/h6-13,26H,5H2,1-4H3,(H,24,28)
InChIKeyXIIPFIQWFUJYEC-UHFFFAOYSA-N
XLogP4.63
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 110501424
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 1107623
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 5046522
1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 110501633
3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 1184444
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylbutanamide
CID 3456725
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
CID 19224388
1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110501576
4-(diethylphosphorylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 134087514

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide (CID 110501459) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide is CCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c(C)c2ccccc21.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is XIIPFIQWFUJYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-5-27-20-9-7-6-8-19(20)15(3)21(27)22(28)24-17-10-12-18(13-11-17)32(29,30)26-23-14(2)16(4)25-31-23/h6-13,26H,5H2,1-4H3,(H,24,28).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110501459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).