N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

C20H20F2N4O4S2 — CID 53138773

IUPACN-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3F)cn2C)sc1C(=O)N1CCOCC1
InChIInChI=1S/C20H20F2N4O4S2/c1-12-18(20(27)26-5-7-30-8-6-26)31-19(23-12)17-10-14(11-25(17)2)32(28,29)24-16-4-3-13(21)9-15(16)22/h3-4,9-11,24H,5-8H2,1-2H3
InChIKeyPHMAMQKAZYZDOR-UHFFFAOYSA-N
MW482.53 g/mol
LogP3.01
Rot. Bonds5

About N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (PubChem CID 53138773) has the molecular formula C20H20F2N4O4S2 and a molecular weight of 482.53 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
PubChem CID53138773
Molecular FormulaC20H20F2N4O4S2
Molecular Weight482.53 g/mol
Exact Mass482.09
IUPAC NameN-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3F)cn2C)sc1C(=O)N1CCOCC1
InChIInChI=1S/C20H20F2N4O4S2/c1-12-18(20(27)26-5-7-30-8-6-26)31-19(23-12)17-10-14(11-25(17)2)32(28,29)24-16-4-3-13(21)9-15(16)22/h3-4,9-11,24H,5-8H2,1-2H3
InChIKeyPHMAMQKAZYZDOR-UHFFFAOYSA-N
XLogP3.01
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylphenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138789
N-(3-chloro-2-methylphenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138787
N-(2-methoxy-5-methylphenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138816
N-cycloheptyl-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138770
N-[(4-fluorophenyl)methyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138656
N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138676
N-(5-chloro-2-methylphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138700
N-cyclopropyl-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138642
N-[(2R)-butan-2-yl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 95094193
1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138748
1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138644
N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138717

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (CID 53138773) is N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3F)cn2C)sc1C(=O)N1CCOCC1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
The InChIKey is PHMAMQKAZYZDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4S2/c1-12-18(20(27)26-5-7-30-8-6-26)31-19(23-12)17-10-14(11-25(17)2)32(28,29)24-16-4-3-13(21)9-15(16)22/h3-4,9-11,24H,5-8H2,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide has a molecular weight of 482.53 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 53138773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).