N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide

C19H24FN3O3S2 — CID 112846129

IUPACN-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESCc1nc(NC(=O)CCCS(=O)(=O)N2CCCC2)sc1Cc1ccccc1F
InChIInChI=1S/C19H24FN3O3S2/c1-14-17(13-15-7-2-3-8-16(15)20)27-19(21-14)22-18(24)9-6-12-28(25,26)23-10-4-5-11-23/h2-3,7-8H,4-6,9-13H2,1H3,(H,21,22,24)
InChIKeyMZUHKQNDRCYQBI-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.33
Rot. Bonds8

About N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide

N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide (PubChem CID 112846129) has the molecular formula C19H24FN3O3S2 and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide
PubChem CID112846129
Molecular FormulaC19H24FN3O3S2
Molecular Weight425.55 g/mol
Exact Mass425.12
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESCc1nc(NC(=O)CCCS(=O)(=O)N2CCCC2)sc1Cc1ccccc1F
InChIInChI=1S/C19H24FN3O3S2/c1-14-17(13-15-7-2-3-8-16(15)20)27-19(21-14)22-18(24)9-6-12-28(25,26)23-10-4-5-11-23/h2-3,7-8H,4-6,9-13H2,1H3,(H,21,22,24)
InChIKeyMZUHKQNDRCYQBI-UHFFFAOYSA-N
XLogP3.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide (CID 112846129) is N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide is Cc1nc(NC(=O)CCCS(=O)(=O)N2CCCC2)sc1Cc1ccccc1F.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide?
The InChIKey is MZUHKQNDRCYQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S2/c1-14-17(13-15-7-2-3-8-16(15)20)27-19(21-14)22-18(24)9-6-12-28(25,26)23-10-4-5-11-23/h2-3,7-8H,4-6,9-13H2,1H3,(H,21,22,24).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide?
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide has a molecular weight of 425.55 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbutanamide is sourced from PubChem (CID 112846129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).