2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide

C19H23NO3S — CID 25128703

IUPAC2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide
SMILESC#CCN([C@@H](c1ccccc1)c1occc1C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C19H23NO3S/c1-6-13-20(24(21,22)19(3,4)5)17(16-10-8-7-9-11-16)18-15(2)12-14-23-18/h1,7-12,14,17H,13H2,2-5H3/t17-/m0/s1
InChIKeyNFSIFDGSANFBMK-KRWDZBQOSA-N
MW345.46 g/mol
LogP3.74
Rot. Bonds5

About 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide

2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide (PubChem CID 25128703) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide
PubChem CID25128703
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide
SMILESC#CCN([C@@H](c1ccccc1)c1occc1C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C19H23NO3S/c1-6-13-20(24(21,22)19(3,4)5)17(16-10-8-7-9-11-16)18-15(2)12-14-23-18/h1,7-12,14,17H,13H2,2-5H3/t17-/m0/s1
InChIKeyNFSIFDGSANFBMK-KRWDZBQOSA-N
XLogP3.74
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide (CID 25128703) is 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide is C#CCN([C@@H](c1ccccc1)c1occc1C)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide?
The InChIKey is NFSIFDGSANFBMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-6-13-20(24(21,22)19(3,4)5)17(16-10-8-7-9-11-16)18-15(2)12-14-23-18/h1,7-12,14,17H,13H2,2-5H3/t17-/m0/s1.
What are the key properties of 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide?
2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]-N-prop-2-ynylpropane-2-sulfonamide is sourced from PubChem (CID 25128703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).