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

C19H24N4O4S2 — CID 20902047

IUPAC2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NC(C(=O)Nc3nccs3)C(C)C)cc2CC1C
InChIInChI=1S/C19H24N4O4S2/c1-11(2)17(18(25)21-19-20-7-8-28-19)22-29(26,27)15-5-6-16-14(10-15)9-12(3)23(16)13(4)24/h5-8,10-12,17,22H,9H2,1-4H3,(H,20,21,25)
InChIKeyLMJGPDNTYOPTFX-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.38
Rot. Bonds6

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

2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 20902047) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID20902047
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC Name2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NC(C(=O)Nc3nccs3)C(C)C)cc2CC1C
InChIInChI=1S/C19H24N4O4S2/c1-11(2)17(18(25)21-19-20-7-8-28-19)22-29(26,27)15-5-6-16-14(10-15)9-12(3)23(16)13(4)24/h5-8,10-12,17,22H,9H2,1-4H3,(H,20,21,25)
InChIKeyLMJGPDNTYOPTFX-UHFFFAOYSA-N
XLogP2.38
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide (CID 20902047) is 2-[(1-acetyl-2-methyl-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-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide is CC(=O)N1c2ccc(S(=O)(=O)NC(C(=O)Nc3nccs3)C(C)C)cc2CC1C.
What is the InChIKey of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is LMJGPDNTYOPTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c1-11(2)17(18(25)21-19-20-7-8-28-19)22-29(26,27)15-5-6-16-14(10-15)9-12(3)23(16)13(4)24/h5-8,10-12,17,22H,9H2,1-4H3,(H,20,21,25).
What are the key properties of 2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 436.56 g/mol, XLogP of 2.38, 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-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 20902047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).