N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide

C24H22ClN5O4S2 — CID 154668150

IUPACN-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
SMILESCc1ccc(Cl)c(-c2cc(-c3csc(NC(=O)CNC(=O)c4ccn(S(C)(=O)=O)c4)n3)ccc2C)n1
InChIInChI=1S/C24H22ClN5O4S2/c1-14-4-6-16(10-18(14)22-19(25)7-5-15(2)27-22)20-13-35-24(28-20)29-21(31)11-26-23(32)17-8-9-30(12-17)36(3,33)34/h4-10,12-13H,11H2,1-3H3,(H,26,32)(H,28,29,31)
InChIKeyWNSIANGDYCWGCJ-UHFFFAOYSA-N
MW544.06 g/mol
LogP4.12
Rot. Bonds7

About N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide

N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide (PubChem CID 154668150) has the molecular formula C24H22ClN5O4S2 and a molecular weight of 544.06 g/mol. Its IUPAC name is N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
PubChem CID154668150
Molecular FormulaC24H22ClN5O4S2
Molecular Weight544.06 g/mol
Exact Mass543.08
IUPAC NameN-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
SMILESCc1ccc(Cl)c(-c2cc(-c3csc(NC(=O)CNC(=O)c4ccn(S(C)(=O)=O)c4)n3)ccc2C)n1
InChIInChI=1S/C24H22ClN5O4S2/c1-14-4-6-16(10-18(14)22-19(25)7-5-15(2)27-22)20-13-35-24(28-20)29-21(31)11-26-23(32)17-8-9-30(12-17)36(3,33)34/h4-10,12-13H,11H2,1-3H3,(H,26,32)(H,28,29,31)
InChIKeyWNSIANGDYCWGCJ-UHFFFAOYSA-N
XLogP4.12
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.06
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide with MolForge

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Related Compounds

N-[2-[[4-[3-(4-hydroxyoxan-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 154669859
1-methylsulfonyl-N-[2-oxo-2-[[4-[3-(pyridin-4-ylmethoxy)phenyl]-1,3-thiazol-2-yl]amino]ethyl]pyrrole-3-carboxamide
CID 154669340
1-methylsulfonyl-N-[2-oxo-2-[[4-[3-(2-piperazin-1-yl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl]pyrrole-3-carboxamide
CID 154668020
tert-butyl 2-[3-[3-[2-[[2-[(1-methylsulfonylpyrrole-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]phenyl]pyrazol-1-yl]acetate
CID 156820164
N-[2-[[4-[3-[2-(3-methoxyoxetan-3-yl)ethynyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 175192415
[(3R,4R)-3-methyl-1-[3-[2-[[2-[(1-methylsulfonylpyrrole-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]phenyl]piperidin-4-yl] acetate
CID 155026555
N-[2-[[4-[3-[(3S)-3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 154667879
N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037029
3,5-dimethyl-N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46667813
1-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]pyrrole-3-carboxamide
CID 154667811
N-[2-[[4-[6-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 155026564
N-[2-[[4-[6-[(2R,6S)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 155037565

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide?
The IUPAC name of N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide (CID 154668150) is N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide is Cc1ccc(Cl)c(-c2cc(-c3csc(NC(=O)CNC(=O)c4ccn(S(C)(=O)=O)c4)n3)ccc2C)n1.
What is the InChIKey of N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide?
The InChIKey is WNSIANGDYCWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O4S2/c1-14-4-6-16(10-18(14)22-19(25)7-5-15(2)27-22)20-13-35-24(28-20)29-21(31)11-26-23(32)17-8-9-30(12-17)36(3,33)34/h4-10,12-13H,11H2,1-3H3,(H,26,32)(H,28,29,31).
What are the key properties of N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide?
N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide has a molecular weight of 544.06 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[3-(3-chloro-6-methyl-2-pyridinyl)-4-methylphenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide is sourced from PubChem (CID 154668150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).