N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C19H22N4O4S2 — CID 130422162

IUPACN-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cc3c(c(S(N)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
InChIInChI=1S/C19H22N4O4S2/c1-9-17(28-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(7-13)29(20,26)27/h6-7,10,12H,4-5,8H2,1-3H3,(H2,20,26,27)(H,21,22,24)/t10-/m0/s1
InChIKeyNHFRWRZPNNFBRN-JTQLQIEISA-N
MW434.54 g/mol
LogP2.48
Rot. Bonds5

About N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 130422162) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID130422162
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC NameN-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cc3c(c(S(N)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1
InChIInChI=1S/C19H22N4O4S2/c1-9-17(28-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(7-13)29(20,26)27/h6-7,10,12H,4-5,8H2,1-3H3,(H2,20,26,27)(H,21,22,24)/t10-/m0/s1
InChIKeyNHFRWRZPNNFBRN-JTQLQIEISA-N
XLogP2.48
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 130422162) is N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cc3c(c(S(N)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1.
What is the InChIKey of N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is NHFRWRZPNNFBRN-JTQLQIEISA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-9-17(28-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(7-13)29(20,26)27/h6-7,10,12H,4-5,8H2,1-3H3,(H2,20,26,27)(H,21,22,24)/t10-/m0/s1.
What are the key properties of N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-sulfamoyl-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 130422162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).