[5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone

C19H22FN3O3S — CID 135171585

IUPAC[5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(F)cc1SNc1cnc(OC)c(C(=O)N2CCC(C)C2)c1
InChIInChI=1S/C19H22FN3O3S/c1-12-6-7-23(11-12)19(24)15-9-14(10-21-18(15)26-3)22-27-17-8-13(20)4-5-16(17)25-2/h4-5,8-10,12,22H,6-7,11H2,1-3H3
InChIKeyAKGBXSDDHGHZKV-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.84
Rot. Bonds6

About [5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone

[5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 135171585) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is [5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID135171585
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name[5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(F)cc1SNc1cnc(OC)c(C(=O)N2CCC(C)C2)c1
InChIInChI=1S/C19H22FN3O3S/c1-12-6-7-23(11-12)19(24)15-9-14(10-21-18(15)26-3)22-27-17-8-13(20)4-5-16(17)25-2/h4-5,8-10,12,22H,6-7,11H2,1-3H3
InChIKeyAKGBXSDDHGHZKV-UHFFFAOYSA-N
XLogP3.84
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(5-fluoro-2-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023665
(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493446
(5-fluoro-2-methoxyphenyl)-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 90648087
[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492080
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 125003943
(5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124972419
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542164
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
5-[(5-fluoro-2-methoxybenzoyl)amino]-2-methoxypyridine-3-carboxamide
CID 154743816
(3-bromo-4-methoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226218

Frequently Asked Questions

What is the IUPAC name of [5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone (CID 135171585) is [5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone is COc1ccc(F)cc1SNc1cnc(OC)c(C(=O)N2CCC(C)C2)c1.
What is the InChIKey of [5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is AKGBXSDDHGHZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-12-6-7-23(11-12)19(24)15-9-14(10-21-18(15)26-3)22-27-17-8-13(20)4-5-16(17)25-2/h4-5,8-10,12,22H,6-7,11H2,1-3H3.
What are the key properties of [5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
[5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 391.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-fluoro-2-methoxyphenyl)sulfanylamino]-2-methoxy-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 135171585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).