N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide

C22H23N3O4S — CID 143409558

IUPACN-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(CSc3cnccc3N)c2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4S/c1-27-18-10-15(11-19(28-2)21(18)29-3)22(26)25-16-6-4-5-14(9-16)13-30-20-12-24-8-7-17(20)23/h4-12H,13H2,1-3H3,(H2,23,24)(H,25,26)
InChIKeyIJXUWIGJAJWQCH-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.23
Rot. Bonds8

About N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide

N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 143409558) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID143409558
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(CSc3cnccc3N)c2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4S/c1-27-18-10-15(11-19(28-2)21(18)29-3)22(26)25-16-6-4-5-14(9-16)13-30-20-12-24-8-7-17(20)23/h4-12H,13H2,1-3H3,(H2,23,24)(H,25,26)
InChIKeyIJXUWIGJAJWQCH-UHFFFAOYSA-N
XLogP4.23
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
CID 143408851
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[3-[(3-amino-2-pyridinyl)sulfanylmethyl]phenyl]-3,5-dimethoxybenzamide
CID 143409440
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 48584262
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808
N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597642
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
2,3-dimethoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide
CID 20597246
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 164618952
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide (CID 143409558) is N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cccc(CSc3cnccc3N)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is IJXUWIGJAJWQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-27-18-10-15(11-19(28-2)21(18)29-3)22(26)25-16-6-4-5-14(9-16)13-30-20-12-24-8-7-17(20)23/h4-12H,13H2,1-3H3,(H2,23,24)(H,25,26).
What are the key properties of N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 425.51 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 143409558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).