N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide

C21H23N5O2S2 — CID 58790792

IUPACN-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide
SMILESCN1CCN(c2ccnc3[nH]c4ccc(N(C)S(=O)(=O)c5cccs5)cc4c23)CC1
InChIInChI=1S/C21H23N5O2S2/c1-24-9-11-26(12-10-24)18-7-8-22-21-20(18)16-14-15(5-6-17(16)23-21)25(2)30(27,28)19-4-3-13-29-19/h3-8,13-14H,9-12H2,1-2H3,(H,22,23)
InChIKeyNTEOEKJFJXPVHQ-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.35
Rot. Bonds4

About N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide

N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide (PubChem CID 58790792) has the molecular formula C21H23N5O2S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide
PubChem CID58790792
Molecular FormulaC21H23N5O2S2
Molecular Weight441.58 g/mol
Exact Mass441.13
IUPAC NameN-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide
SMILESCN1CCN(c2ccnc3[nH]c4ccc(N(C)S(=O)(=O)c5cccs5)cc4c23)CC1
InChIInChI=1S/C21H23N5O2S2/c1-24-9-11-26(12-10-24)18-7-8-22-21-20(18)16-14-15(5-6-17(16)23-21)25(2)30(27,28)19-4-3-13-29-19/h3-8,13-14H,9-12H2,1-2H3,(H,22,23)
InChIKeyNTEOEKJFJXPVHQ-UHFFFAOYSA-N
XLogP3.35
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide
CID 58790562
N-methyl-N-[3-[4-(morpholine-4-carbonyl)phenyl]-4-pyridin-3-yl-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide
CID 11999407
N-methyl-N-[3-[4-(morpholin-4-ylmethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide
CID 11999521
N-methoxy-N-methyl-4-[6-[methyl(thiophen-2-ylsulfonyl)amino]-4-phenyl-9H-pyrido[2,3-b]indol-3-yl]benzamide
CID 58790698
N-[3-[4-[5-(dimethylamino)pent-1-en-2-yl-methylamino]phenyl]-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methylthiophene-2-sulfonamide
CID 143364315
[3-methylidene-1-[6-(thiophen-2-ylsulfonylmethyl)-9H-pyrido[2,3-b]indol-4-yl]azetidin-2-yl]methanol
CID 143364158
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358917
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31217869
N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide
CID 2992743
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
methyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100551743
N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide
CID 55764371

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide (CID 58790792) is N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide is CN1CCN(c2ccnc3[nH]c4ccc(N(C)S(=O)(=O)c5cccs5)cc4c23)CC1.
What is the InChIKey of N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide?
The InChIKey is NTEOEKJFJXPVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S2/c1-24-9-11-26(12-10-24)18-7-8-22-21-20(18)16-14-15(5-6-17(16)23-21)25(2)30(27,28)19-4-3-13-29-19/h3-8,13-14H,9-12H2,1-2H3,(H,22,23).
What are the key properties of N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide?
N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide has a molecular weight of 441.58 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 58790792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).