N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

C22H25ClN2O4S — CID 20853318

IUPACN-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cc(Cl)ccc3C)cc2CC1C
InChIInChI=1S/C22H25ClN2O4S/c1-4-22(27)25-15(3)11-16-12-18(7-8-20(16)25)30(28,29)10-9-21(26)24-19-13-17(23)6-5-14(19)2/h5-8,12-13,15H,4,9-11H2,1-3H3,(H,24,26)
InChIKeyYDVOQTWISHQUIT-UHFFFAOYSA-N
MW448.97 g/mol
LogP4.14
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (PubChem CID 20853318) has the molecular formula C22H25ClN2O4S and a molecular weight of 448.97 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
PubChem CID20853318
Molecular FormulaC22H25ClN2O4S
Molecular Weight448.97 g/mol
Exact Mass448.12
IUPAC NameN-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cc(Cl)ccc3C)cc2CC1C
InChIInChI=1S/C22H25ClN2O4S/c1-4-22(27)25-15(3)11-16-12-18(7-8-20(16)25)30(28,29)10-9-21(26)24-19-13-17(23)6-5-14(19)2/h5-8,12-13,15H,4,9-11H2,1-3H3,(H,24,26)
InChIKeyYDVOQTWISHQUIT-UHFFFAOYSA-N
XLogP4.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.97
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853326
ethyl 3-[3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoylamino]benzoate
CID 20853323
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,4-dimethylphenyl)propanamide
CID 20917376
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethylphenyl)propanamide
CID 20917384
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 20917406
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 3244735
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 15995335
N-ethyl-N-(3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853340
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethoxyphenyl)propanamide
CID 20853305
N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide
CID 92722877
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 20917390
N-(5-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361185

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (CID 20853318) is N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3cc(Cl)ccc3C)cc2CC1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The InChIKey is YDVOQTWISHQUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4S/c1-4-22(27)25-15(3)11-16-12-18(7-8-20(16)25)30(28,29)10-9-21(26)24-19-13-17(23)6-5-14(19)2/h5-8,12-13,15H,4,9-11H2,1-3H3,(H,24,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide has a molecular weight of 448.97 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 20853318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).