(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide

C18H20N2O3S — CID 60606512

IUPAC(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCCCc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-2-5-13-8-10-15(11-9-13)24(22,23)20-16-7-4-3-6-14(16)12-17(20)18(19)21/h3-4,6-11,17H,2,5,12H2,1H3,(H2,19,21)/t17-/m0/s1
InChIKeyZTFDLPLJBSFJSQ-KRWDZBQOSA-N
MW344.44 g/mol
LogP2.24
Rot. Bonds5

About (2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide

(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 60606512) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID60606512
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCCCc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-2-5-13-8-10-15(11-9-13)24(22,23)20-16-7-4-3-6-14(16)12-17(20)18(19)21/h3-4,6-11,17H,2,5,12H2,1H3,(H2,19,21)/t17-/m0/s1
InChIKeyZTFDLPLJBSFJSQ-KRWDZBQOSA-N
XLogP2.24
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide (CID 60606512) is (2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide is CCCc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1.
What is the InChIKey of (2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is ZTFDLPLJBSFJSQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-5-13-8-10-15(11-9-13)24(22,23)20-16-7-4-3-6-14(16)12-17(20)18(19)21/h3-4,6-11,17H,2,5,12H2,1H3,(H2,19,21)/t17-/m0/s1.
What are the key properties of (2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 60606512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).