N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C20H25NO3S — CID 58957323

IUPACN-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCCOc1cccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c1
InChIInChI=1S/C20H25NO3S/c1-4-24-20-7-5-6-15(13-20)16-8-9-17-11-19(12-18(17)10-16)21-25(22,23)14(2)3/h5-10,13-14,19,21H,4,11-12H2,1-3H3
InChIKeyMXFHRWNIPVWXJY-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.55
Rot. Bonds6

About N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 58957323) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID58957323
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCCOc1cccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c1
InChIInChI=1S/C20H25NO3S/c1-4-24-20-7-5-6-15(13-20)16-8-9-17-11-19(12-18(17)10-16)21-25(22,23)14(2)3/h5-10,13-14,19,21H,4,11-12H2,1-3H3
InChIKeyMXFHRWNIPVWXJY-UHFFFAOYSA-N
XLogP3.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 58957323) is N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CCOc1cccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c1.
What is the InChIKey of N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is MXFHRWNIPVWXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-4-24-20-7-5-6-15(13-20)16-8-9-17-11-19(12-18(17)10-16)21-25(22,23)14(2)3/h5-10,13-14,19,21H,4,11-12H2,1-3H3.
What are the key properties of N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 359.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethoxyphenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 58957323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).