methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide

C24H24N4O3S — CID 139090513

IUPACmethylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide
SMILESCS(C)=O.O=C(Nc1ccccc1)Nc1cccc2cc(C(=O)Nc3ccccc3)[nH]c12
InChIInChI=1S/C22H18N4O2.C2H6OS/c27-21(23-16-9-3-1-4-10-16)19-14-15-8-7-13-18(20(15)25-19)26-22(28)24-17-11-5-2-6-12-17;1-4(2)3/h1-14,25H,(H,23,27)(H2,24,26,28);1-2H3
InChIKeyRBVQHKIOAVAJSZ-UHFFFAOYSA-N
MW448.55 g/mol
LogP5.06
Rot. Bonds4

About methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide

methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide (PubChem CID 139090513) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide.

Molecular Properties

Compound Namemethylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide
PubChem CID139090513
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Namemethylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide
SMILESCS(C)=O.O=C(Nc1ccccc1)Nc1cccc2cc(C(=O)Nc3ccccc3)[nH]c12
InChIInChI=1S/C22H18N4O2.C2H6OS/c27-21(23-16-9-3-1-4-10-16)19-14-15-8-7-13-18(20(15)25-19)26-22(28)24-17-11-5-2-6-12-17;1-4(2)3/h1-14,25H,(H,23,27)(H2,24,26,28);1-2H3
InChIKeyRBVQHKIOAVAJSZ-UHFFFAOYSA-N
XLogP5.06
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.55
LogP ≤ 55.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide?
The IUPAC name of methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide (CID 139090513) is methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide.
What is the SMILES notation for methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide?
The canonical SMILES for methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide is CS(C)=O.O=C(Nc1ccccc1)Nc1cccc2cc(C(=O)Nc3ccccc3)[nH]c12.
What is the InChIKey of methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide?
The InChIKey is RBVQHKIOAVAJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2.C2H6OS/c27-21(23-16-9-3-1-4-10-16)19-14-15-8-7-13-18(20(15)25-19)26-22(28)24-17-11-5-2-6-12-17;1-4(2)3/h1-14,25H,(H,23,27)(H2,24,26,28);1-2H3.
What are the key properties of methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide?
methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 5.06, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;N-phenyl-7-(phenylcarbamoylamino)-1H-indole-2-carboxamide is sourced from PubChem (CID 139090513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).