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

C17H16N4O2S2 — CID 58790562

IUPACN-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide
SMILESCNc1ccnc2[nH]c3ccc(N(C)S(=O)(=O)c4cccs4)cc3c12
InChIInChI=1S/C17H16N4O2S2/c1-18-14-7-8-19-17-16(14)12-10-11(5-6-13(12)20-17)21(2)25(22,23)15-4-3-9-24-15/h3-10H,1-2H3,(H2,18,19,20)
InChIKeyOAHCZTCPASDNBT-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.64
Rot. Bonds4

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

N-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide (PubChem CID 58790562) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide
PubChem CID58790562
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC NameN-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide
SMILESCNc1ccnc2[nH]c3ccc(N(C)S(=O)(=O)c4cccs4)cc3c12
InChIInChI=1S/C17H16N4O2S2/c1-18-14-7-8-19-17-16(14)12-10-11(5-6-13(12)20-17)21(2)25(22,23)15-4-3-9-24-15/h3-10H,1-2H3,(H2,18,19,20)
InChIKeyOAHCZTCPASDNBT-UHFFFAOYSA-N
XLogP3.64
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-(4-methylpiperazin-1-yl)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide
CID 58790792
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-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-[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
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
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
methyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100551743
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
(2-amino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 8820335
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31217869
N-[(2S)-1-aminopropan-2-yl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 120506152
N-(3,5-dimethylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545390

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide (CID 58790562) is N-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide is CNc1ccnc2[nH]c3ccc(N(C)S(=O)(=O)c4cccs4)cc3c12.
What is the InChIKey of N-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide?
The InChIKey is OAHCZTCPASDNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-18-14-7-8-19-17-16(14)12-10-11(5-6-13(12)20-17)21(2)25(22,23)15-4-3-9-24-15/h3-10H,1-2H3,(H2,18,19,20).
What are the key properties of N-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide?
N-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide has a molecular weight of 372.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(methylamino)-9H-pyrido[2,3-b]indol-6-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 58790562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).