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

C18H22N4O4S2 — CID 5322974

IUPAC2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3nccs3)C(C)C)ccc21
InChIInChI=1S/C18H22N4O4S2/c1-11(2)16(17(24)20-18-19-7-9-27-18)21-28(25,26)14-4-5-15-13(10-14)6-8-22(15)12(3)23/h4-5,7,9-11,16,21H,6,8H2,1-3H3,(H,19,20,24)
InChIKeyRAYUXOFROUXBIC-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.99
Rot. Bonds6

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

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 5322974) has the molecular formula C18H22N4O4S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID5322974
Molecular FormulaC18H22N4O4S2
Molecular Weight422.53 g/mol
Exact Mass422.11
IUPAC Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3nccs3)C(C)C)ccc21
InChIInChI=1S/C18H22N4O4S2/c1-11(2)16(17(24)20-18-19-7-9-27-18)21-28(25,26)14-4-5-15-13(10-14)6-8-22(15)12(3)23/h4-5,7,9-11,16,21H,6,8H2,1-3H3,(H,19,20,24)
InChIKeyRAYUXOFROUXBIC-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 92661445
(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 2118573
(2S)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 92662222
(2R)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 92662221
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 92661510
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 5323021
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide
CID 5323111
(2R)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 92662217
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide
CID 3242464
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide
CID 20856570

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide (CID 5322974) is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide is CC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3nccs3)C(C)C)ccc21.
What is the InChIKey of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is RAYUXOFROUXBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S2/c1-11(2)16(17(24)20-18-19-7-9-27-18)21-28(25,26)14-4-5-15-13(10-14)6-8-22(15)12(3)23/h4-5,7,9-11,16,21H,6,8H2,1-3H3,(H,19,20,24).
What are the key properties of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 422.53 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 5322974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).