N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide

C24H29N5O4S — CID 130302549

IUPACN-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
SMILESCOc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C24H29N5O4S/c1-28(2)17-18-4-6-19(7-5-18)22-14-20(8-9-25-22)27-34(30,31)23-15-21(16-26-24(23)32-3)29-10-12-33-13-11-29/h4-9,14-16H,10-13,17H2,1-3H3,(H,25,27)
InChIKeyAUASDTZFTRAYSJ-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.85
Rot. Bonds8

About N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide

N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 130302549) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
PubChem CID130302549
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC NameN-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
SMILESCOc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C24H29N5O4S/c1-28(2)17-18-4-6-19(7-5-18)22-14-20(8-9-25-22)27-34(30,31)23-15-21(16-26-24(23)32-3)29-10-12-33-13-11-29/h4-9,14-16H,10-13,17H2,1-3H3,(H,25,27)
InChIKeyAUASDTZFTRAYSJ-UHFFFAOYSA-N
XLogP2.85
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide?
The IUPAC name of N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide (CID 130302549) is N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide is COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN(C)C)cc2)c1.
What is the InChIKey of N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide?
The InChIKey is AUASDTZFTRAYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-28(2)17-18-4-6-19(7-5-18)22-14-20(8-9-25-22)27-34(30,31)23-15-21(16-26-24(23)32-3)29-10-12-33-13-11-29/h4-9,14-16H,10-13,17H2,1-3H3,(H,25,27).
What are the key properties of N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide?
N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 483.59 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(dimethylamino)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 130302549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).