N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide

C16H19N3O3S2 — CID 95238811

IUPACN-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide
SMILESC[C@@H]1Cc2ccccc2N1CCNC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C16H19N3O3S2/c1-11-8-12-4-2-3-5-14(12)19(11)7-6-18-16(20)13-9-15(23-10-13)24(17,21)22/h2-5,9-11H,6-8H2,1H3,(H,18,20)(H2,17,21,22)/t11-/m1/s1
InChIKeyFBOXUYUYBMJHJE-LLVKDONJSA-N
MW365.48 g/mol
LogP1.58
Rot. Bonds5

About N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide

N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide (PubChem CID 95238811) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide
PubChem CID95238811
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide
SMILESC[C@@H]1Cc2ccccc2N1CCNC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C16H19N3O3S2/c1-11-8-12-4-2-3-5-14(12)19(11)7-6-18-16(20)13-9-15(23-10-13)24(17,21)22/h2-5,9-11H,6-8H2,1H3,(H,18,20)(H2,17,21,22)/t11-/m1/s1
InChIKeyFBOXUYUYBMJHJE-LLVKDONJSA-N
XLogP1.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-2-oxopyridine-4-carboxamide
CID 95235616
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3,5-dinitrobenzamide
CID 60599573
3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100514224
3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
CID 133231360
2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide
CID 60616291
6-(dimethylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyridine-3-carboxamide
CID 86860635
N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
CID 95621563
N-(2-phenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 39191262
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]butanamide;dihydrochloride
CID 119868408
3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide
CID 97259521

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide (CID 95238811) is N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide is C[C@@H]1Cc2ccccc2N1CCNC(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is FBOXUYUYBMJHJE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-11-8-12-4-2-3-5-14(12)19(11)7-6-18-16(20)13-9-15(23-10-13)24(17,21)22/h2-5,9-11H,6-8H2,1H3,(H,18,20)(H2,17,21,22)/t11-/m1/s1.
What are the key properties of N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide?
N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 95238811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).