N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C14H17N3O4S3 — CID 11998681

IUPACN-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCC(O)C3)c2)s1
InChIInChI=1S/C14H17N3O4S3/c1-8-13(23-14(15-8)16-9(2)18)10-5-12(22-7-10)24(20,21)17-4-3-11(19)6-17/h5,7,11,19H,3-4,6H2,1-2H3,(H,15,16,18)
InChIKeyNWAHTNQTXJXOML-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.89
Rot. Bonds4

About N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 11998681) has the molecular formula C14H17N3O4S3 and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID11998681
Molecular FormulaC14H17N3O4S3
Molecular Weight387.51 g/mol
Exact Mass387.04
IUPAC NameN-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCC(O)C3)c2)s1
InChIInChI=1S/C14H17N3O4S3/c1-8-13(23-14(15-8)16-9(2)18)10-5-12(22-7-10)24(20,21)17-4-3-11(19)6-17/h5,7,11,19H,3-4,6H2,1-2H3,(H,15,16,18)
InChIKeyNWAHTNQTXJXOML-UHFFFAOYSA-N
XLogP1.89
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11999019
N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11998799
N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide
CID 11998679
N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 11998676
4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-5-bromothiophene-2-sulfonyl chloride;N-[5-[2-bromo-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 161222465
N-[5-[3-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 78108205
N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide
CID 11998674
N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide
CID 11999020
5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 62943561
methyl 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
CID 167188486
4-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 107215064
N-[5-[(1E,3Z)-2-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]penta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 89034768

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 11998681) is N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCC(O)C3)c2)s1.
What is the InChIKey of N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is NWAHTNQTXJXOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S3/c1-8-13(23-14(15-8)16-9(2)18)10-5-12(22-7-10)24(20,21)17-4-3-11(19)6-17/h5,7,11,19H,3-4,6H2,1-2H3,(H,15,16,18).
What are the key properties of N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11998681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).