N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide

C18H20ClN3O3S — CID 40939764

IUPACN-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C
InChIInChI=1S/C18H20ClN3O3S/c1-11-7-14(19)3-5-16(11)21-18(23)10-22-12(2)8-13-9-15(26(20,24)25)4-6-17(13)22/h3-7,9,12H,8,10H2,1-2H3,(H,21,23)(H2,20,24,25)/t12-/m1/s1
InChIKeyFCAKDKZJDZIWSF-GFCCVEGCSA-N
MW393.90 g/mol
LogP2.69
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide

N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide (PubChem CID 40939764) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
PubChem CID40939764
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C
InChIInChI=1S/C18H20ClN3O3S/c1-11-7-14(19)3-5-16(11)21-18(23)10-22-12(2)8-13-9-15(26(20,24)25)4-6-17(13)22/h3-7,9,12H,8,10H2,1-2H3,(H,21,23)(H2,20,24,25)/t12-/m1/s1
InChIKeyFCAKDKZJDZIWSF-GFCCVEGCSA-N
XLogP2.69
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 34918587
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 9468005
N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78897256
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 34919205
N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 98678027
N-(2-benzoyl-4-chlorophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 7940762
N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 17407802
N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 7940760
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
CID 26698295
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
N-(3-chloro-4-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 109008682

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide (CID 40939764) is N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide is Cc1cc(Cl)ccc1NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is FCAKDKZJDZIWSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-11-7-14(19)3-5-16(11)21-18(23)10-22-12(2)8-13-9-15(26(20,24)25)4-6-17(13)22/h3-7,9,12H,8,10H2,1-2H3,(H,21,23)(H2,20,24,25)/t12-/m1/s1.
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 393.90 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 40939764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).