1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

C22H34N4O3S2 — CID 53114879

IUPAC1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)n2C)sc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C22H34N4O3S2/c1-14(2)7-10-23-31(28,29)19-13-18(25(6)17(19)5)21-24-16(4)20(30-21)22(27)26-11-8-15(3)9-12-26/h13-15,23H,7-12H2,1-6H3
InChIKeySGEYFKUPANTHGV-UHFFFAOYSA-N
MW466.67 g/mol
LogP3.96
Rot. Bonds7

About 1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (PubChem CID 53114879) has the molecular formula C22H34N4O3S2 and a molecular weight of 466.67 g/mol. Its IUPAC name is 1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
PubChem CID53114879
Molecular FormulaC22H34N4O3S2
Molecular Weight466.67 g/mol
Exact Mass466.21
IUPAC Name1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)n2C)sc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C22H34N4O3S2/c1-14(2)7-10-23-31(28,29)19-13-18(25(6)17(19)5)21-24-16(4)20(30-21)22(27)26-11-8-15(3)9-12-26/h13-15,23H,7-12H2,1-6H3
InChIKeySGEYFKUPANTHGV-UHFFFAOYSA-N
XLogP3.96
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-1,2-dimethyl-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114866
[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53031478
1,2-dimethyl-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)pyrrole-3-sulfonamide
CID 53114874
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-ethyl-1,2-dimethylpyrrole-3-sulfonamide
CID 53114923
[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 53031474
1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138644
N-butan-2-yl-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114727
N-cyclohexyl-N,1,2-trimethyl-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114875
N-(2,6-dimethylphenyl)-1,2-dimethyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114958
1,2-dimethyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)pyrrole-3-sulfonamide
CID 53114838
1,2-dimethyl-N-(4-methylphenyl)-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114780
azepan-1-yl-[2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 53114912

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (CID 53114879) is 1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)n2C)sc1C(=O)N1CCC(C)CC1.
What is the InChIKey of 1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
The InChIKey is SGEYFKUPANTHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3S2/c1-14(2)7-10-23-31(28,29)19-13-18(25(6)17(19)5)21-24-16(4)20(30-21)22(27)26-11-8-15(3)9-12-26/h13-15,23H,7-12H2,1-6H3.
What are the key properties of 1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide has a molecular weight of 466.67 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 53114879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).