N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide

C19H28N4O4S — CID 66720161

IUPACN-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCCCNCCOc1ncc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(OC)n1
InChIInChI=1S/C19H28N4O4S/c1-5-10-20-11-12-27-19-21-13-17(18(22-19)26-4)23-28(24,25)16-8-6-15(7-9-16)14(2)3/h6-9,13-14,20,23H,5,10-12H2,1-4H3
InChIKeyLMMODWXEVXESIF-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.79
Rot. Bonds11

About N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide

N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 66720161) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID66720161
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCCCNCCOc1ncc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(OC)n1
InChIInChI=1S/C19H28N4O4S/c1-5-10-20-11-12-27-19-21-13-17(18(22-19)26-4)23-28(24,25)16-8-6-15(7-9-16)14(2)3/h6-9,13-14,20,23H,5,10-12H2,1-4H3
InChIKeyLMMODWXEVXESIF-UHFFFAOYSA-N
XLogP2.79
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66883107
4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 24784872
4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 87189625
4-[(2S)-1-fluoropropan-2-yl]-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66882499
N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide
CID 122303990
4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride
CID 69243399
N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide
CID 62349082
N-(7-ethyl-2-methoxy-5-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 130246278
N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 122304353
N-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-3,5-dinitrobenzenesulfonamide
CID 122304242
N-(2,4-dimethoxypyrimidin-5-yl)-3-nitrobenzenesulfonamide
CID 122304240
N-(2,4-dimethoxypyrimidin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122304201

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide (CID 66720161) is N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide is CCCNCCOc1ncc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(OC)n1.
What is the InChIKey of N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is LMMODWXEVXESIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-5-10-20-11-12-27-19-21-13-17(18(22-19)26-4)23-28(24,25)16-8-6-15(7-9-16)14(2)3/h6-9,13-14,20,23H,5,10-12H2,1-4H3.
What are the key properties of N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide?
N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 408.52 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 66720161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).