4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide

C24H21N3O3S — CID 143640230

IUPAC4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide
SMILESCc1c(C(=O)NCCc2cccc(Oc3ccnc(C(N)=O)c3)c2)sc2ccccc12
InChIInChI=1S/C24H21N3O3S/c1-15-19-7-2-3-8-21(19)31-22(15)24(29)27-11-9-16-5-4-6-17(13-16)30-18-10-12-26-20(14-18)23(25)28/h2-8,10,12-14H,9,11H2,1H3,(H2,25,28)(H,27,29)
InChIKeyLDHFCSSBVOQMNI-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.47
Rot. Bonds7

About 4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide

4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide (PubChem CID 143640230) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide
PubChem CID143640230
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide
SMILESCc1c(C(=O)NCCc2cccc(Oc3ccnc(C(N)=O)c3)c2)sc2ccccc12
InChIInChI=1S/C24H21N3O3S/c1-15-19-7-2-3-8-21(19)31-22(15)24(29)27-11-9-16-5-4-6-17(13-16)30-18-10-12-26-20(14-18)23(25)28/h2-8,10,12-14H,9,11H2,1H3,(H2,25,28)(H,27,29)
InChIKeyLDHFCSSBVOQMNI-UHFFFAOYSA-N
XLogP4.47
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[2-[3-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]ethyl]-1H-indole-5-carboxamide
CID 143640179
2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 25052237
3-[2-methyl-4-[3-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenoxy]phenyl]propanoic acid
CID 58853583
N-methyl-4-[3-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050084
4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051719
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051896
4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 71122267
4-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 25050082
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 31115481
N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 89291718
4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051717

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide (CID 143640230) is 4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide is Cc1c(C(=O)NCCc2cccc(Oc3ccnc(C(N)=O)c3)c2)sc2ccccc12.
What is the InChIKey of 4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is LDHFCSSBVOQMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-15-19-7-2-3-8-21(19)31-22(15)24(29)27-11-9-16-5-4-6-17(13-16)30-18-10-12-26-20(14-18)23(25)28/h2-8,10,12-14H,9,11H2,1H3,(H2,25,28)(H,27,29).
What are the key properties of 4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide?
4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 143640230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).