N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide

C19H22N2O4S — CID 18097880

IUPACN,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(Oc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C19H22N2O4S/c1-14(25-16-7-5-4-6-8-16)19(22)21-12-11-15-13-17(9-10-18(15)21)26(23,24)20(2)3/h4-10,13-14H,11-12H2,1-3H3
InChIKeyPYPYTLRTCBQCIQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.29
Rot. Bonds5

About N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide

N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 18097880) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID18097880
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(Oc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C19H22N2O4S/c1-14(25-16-7-5-4-6-8-16)19(22)21-12-11-15-13-17(9-10-18(15)21)26(23,24)20(2)3/h4-10,13-14H,11-12H2,1-3H3
InChIKeyPYPYTLRTCBQCIQ-UHFFFAOYSA-N
XLogP2.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 39641255
1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132663330
1-[2-(4-chloro-3-methylphenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132667023
2-(4-methylphenoxy)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one
CID 18097873
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 99999439
1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 92647054
2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 58182309
4-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 16540669
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide (CID 18097880) is N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide is CC(Oc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is PYPYTLRTCBQCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14(25-16-7-5-4-6-8-16)19(22)21-12-11-15-13-17(9-10-18(15)21)26(23,24)20(2)3/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide?
N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 18097880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).