N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide

C28H21N3O2S2 — CID 66906630

IUPACN-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide
SMILESCc1c(N(Cc2cccc3cccnc23)S(=O)(=O)c2cccc3cccnc23)sc2ccccc12
InChIInChI=1S/C28H21N3O2S2/c1-19-23-13-2-3-14-24(23)34-28(19)31(18-22-10-4-8-20-11-6-16-29-26(20)22)35(32,33)25-15-5-9-21-12-7-17-30-27(21)25/h2-17H,18H2,1H3
InChIKeyUTSSJBBVCIKHPK-UHFFFAOYSA-N
MW495.63 g/mol
LogP6.70
Rot. Bonds5

About N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide

N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide (PubChem CID 66906630) has the molecular formula C28H21N3O2S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide
PubChem CID66906630
Molecular FormulaC28H21N3O2S2
Molecular Weight495.63 g/mol
Exact Mass495.11
IUPAC NameN-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide
SMILESCc1c(N(Cc2cccc3cccnc23)S(=O)(=O)c2cccc3cccnc23)sc2ccccc12
InChIInChI=1S/C28H21N3O2S2/c1-19-23-13-2-3-14-24(23)34-28(19)31(18-22-10-4-8-20-11-6-16-29-26(20)22)35(32,33)25-15-5-9-21-12-7-17-30-27(21)25/h2-17H,18H2,1H3
InChIKeyUTSSJBBVCIKHPK-UHFFFAOYSA-N
XLogP6.70
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[carboxymethyl(quinolin-8-ylsulfonyl)amino]naphthalen-1-yl]-quinolin-8-ylsulfonylamino]acetic acid
CID 154997964
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
2-(N-quinolin-8-ylsulfonylanilino)acetic acid
CID 146018152
N,N-bis(4-methylphenyl)quinoline-8-sulfonamide
CID 3737417
N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide
CID 22771443
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
N-decyl-2-ethyl-N-quinolin-8-ylbenzenesulfonamide
CID 70592370
N-benzyl-3,4-difluoro-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
CID 90338808
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
N,N-bis(prop-2-enyl)quinoline-8-sulfonamide
CID 3546701

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide?
The IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide (CID 66906630) is N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide is Cc1c(N(Cc2cccc3cccnc23)S(=O)(=O)c2cccc3cccnc23)sc2ccccc12.
What is the InChIKey of N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide?
The InChIKey is UTSSJBBVCIKHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2S2/c1-19-23-13-2-3-14-24(23)34-28(19)31(18-22-10-4-8-20-11-6-16-29-26(20)22)35(32,33)25-15-5-9-21-12-7-17-30-27(21)25/h2-17H,18H2,1H3.
What are the key properties of N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide?
N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide has a molecular weight of 495.63 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 66906630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).