N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C24H28N6O4S2 — CID 166110439

IUPACN-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccnc5ccccc45)CC3)C2)s1
InChIInChI=1S/C24H28N6O4S2/c1-16-23(35-24(26-16)27-17(2)31)36(33,34)30-10-8-18(15-30)22(32)29-13-11-28(12-14-29)21-7-9-25-20-6-4-3-5-19(20)21/h3-7,9,18H,8,10-15H2,1-2H3,(H,26,27,31)
InChIKeyBCTDMJFVMXRUPF-UHFFFAOYSA-N
MW528.66 g/mol
LogP2.32
Rot. Bonds5

About N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 166110439) has the molecular formula C24H28N6O4S2 and a molecular weight of 528.66 g/mol. Its IUPAC name is N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID166110439
Molecular FormulaC24H28N6O4S2
Molecular Weight528.66 g/mol
Exact Mass528.16
IUPAC NameN-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccnc5ccccc45)CC3)C2)s1
InChIInChI=1S/C24H28N6O4S2/c1-16-23(35-24(26-16)27-17(2)31)36(33,34)30-10-8-18(15-30)22(32)29-13-11-28(12-14-29)21-7-9-25-20-6-4-3-5-19(20)21/h3-7,9,18H,8,10-15H2,1-2H3,(H,26,27,31)
InChIKeyBCTDMJFVMXRUPF-UHFFFAOYSA-N
XLogP2.32
TPSA115.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

(4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone
CID 166173255
N-[5-[4-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperazin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide
CID 20754631
[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone
CID 166110374
(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435539
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide
CID 166110373
N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 163357165
pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868753
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306
(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone
CID 91952340
1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 136542936
N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 3676579

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 166110439) is N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccnc5ccccc45)CC3)C2)s1.
What is the InChIKey of N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is BCTDMJFVMXRUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S2/c1-16-23(35-24(26-16)27-17(2)31)36(33,34)30-10-8-18(15-30)22(32)29-13-11-28(12-14-29)21-7-9-25-20-6-4-3-5-19(20)21/h3-7,9,18H,8,10-15H2,1-2H3,(H,26,27,31).
What are the key properties of N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 528.66 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 166110439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).