3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C18H22N4O4S2 — CID 92687789

IUPAC3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3nc(C)cs3)cc2C[C@H]1C
InChIInChI=1S/C18H22N4O4S2/c1-11-10-27-18(20-11)21-17(24)6-7-19-28(25,26)15-4-5-16-14(9-15)8-12(2)22(16)13(3)23/h4-5,9-10,12,19H,6-8H2,1-3H3,(H,20,21,24)/t12-/m1/s1
InChIKeyQHIIWXKCSOHBGY-GFCCVEGCSA-N
MW422.53 g/mol
LogP2.06
Rot. Bonds6

About 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 92687789) has the molecular formula C18H22N4O4S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID92687789
Molecular FormulaC18H22N4O4S2
Molecular Weight422.53 g/mol
Exact Mass422.11
IUPAC Name3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3nc(C)cs3)cc2C[C@H]1C
InChIInChI=1S/C18H22N4O4S2/c1-11-10-27-18(20-11)21-17(24)6-7-19-28(25,26)15-4-5-16-14(9-15)8-12(2)22(16)13(3)23/h4-5,9-10,12,19H,6-8H2,1-3H3,(H,20,21,24)/t12-/m1/s1
InChIKeyQHIIWXKCSOHBGY-GFCCVEGCSA-N
XLogP2.06
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 92687784
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 92687783
N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43036913
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-acetylphenyl)propanamide
CID 46274810
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 24791899
1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 92687748
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 92687837
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide
CID 92687871
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 46274855
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-phenylethyl)propanamide
CID 92687862
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 92504991
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92687907

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 92687789) is 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3nc(C)cs3)cc2C[C@H]1C.
What is the InChIKey of 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QHIIWXKCSOHBGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N4O4S2/c1-11-10-27-18(20-11)21-17(24)6-7-19-28(25,26)15-4-5-16-14(9-15)8-12(2)22(16)13(3)23/h4-5,9-10,12,19H,6-8H2,1-3H3,(H,20,21,24)/t12-/m1/s1.
What are the key properties of 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 422.53 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 92687789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).