N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide

C17H20N2O4S — CID 51894301

IUPACN,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide
SMILESCc1oc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20N2O4S/c1-11-9-13-7-5-6-8-14(13)19(11)17(20)15-10-16(12(2)23-15)24(21,22)18(3)4/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1
InChIKeyAUJCBSVOMFATFV-NSHDSACASA-N
MW348.42 g/mol
LogP2.43
Rot. Bonds3

About N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide

N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide (PubChem CID 51894301) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide
PubChem CID51894301
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide
SMILESCc1oc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20N2O4S/c1-11-9-13-7-5-6-8-14(13)19(11)17(20)15-10-16(12(2)23-15)24(21,22)18(3)4/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1
InChIKeyAUJCBSVOMFATFV-NSHDSACASA-N
XLogP2.43
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide
CID 91644275
N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide
CID 97029245
N,N,2,3-tetramethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 46816018
(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one
CID 110699372
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[3-(dimethylamino)phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176454
N,N,3-trimethyl-4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 133239000
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109258313
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 26910878

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide?
The IUPAC name of N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide (CID 51894301) is N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide.
What is the SMILES notation for N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide?
The canonical SMILES for N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide is Cc1oc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide?
The InChIKey is AUJCBSVOMFATFV-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-9-13-7-5-6-8-14(13)19(11)17(20)15-10-16(12(2)23-15)24(21,22)18(3)4/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1.
What are the key properties of N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide?
N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide is sourced from PubChem (CID 51894301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).