1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C22H26N4O3S2 — CID 24657670

IUPAC1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)cn3C)n2)cc1
InChIInChI=1S/C22H26N4O3S2/c1-15(2)16-6-8-17(9-7-16)19-14-30-22(23-19)24-21(27)20-12-18(13-25(20)3)31(28,29)26-10-4-5-11-26/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,23,24,27)
InChIKeyBWXYAIQDEAUQQA-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.31
Rot. Bonds6

About 1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 24657670) has the molecular formula C22H26N4O3S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID24657670
Molecular FormulaC22H26N4O3S2
Molecular Weight458.61 g/mol
Exact Mass458.14
IUPAC Name1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)cn3C)n2)cc1
InChIInChI=1S/C22H26N4O3S2/c1-15(2)16-6-8-17(9-7-16)19-14-30-22(23-19)24-21(27)20-12-18(13-25(20)3)31(28,29)26-10-4-5-11-26/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,23,24,27)
InChIKeyBWXYAIQDEAUQQA-UHFFFAOYSA-N
XLogP4.31
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 31847845
1-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55469802
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27897743
4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4226551
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55722629
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4693642
1-(3-methylsulfonylphenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16828570
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947
N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-3,5-dichloro-4-methoxybenzamide
CID 18848621
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 16832294
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
N-[(4-propan-2-ylphenyl)methylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 5230376

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 24657670) is 1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is CC(C)c1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)cn3C)n2)cc1.
What is the InChIKey of 1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is BWXYAIQDEAUQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S2/c1-15(2)16-6-8-17(9-7-16)19-14-30-22(23-19)24-21(27)20-12-18(13-25(20)3)31(28,29)26-10-4-5-11-26/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,23,24,27).
What are the key properties of 1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 24657670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).