2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide

C24H29N5O4S — CID 58235648

IUPAC2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
SMILESCCOc1cc(N2CCOCC2)ccc1Cc1nccc(Nc2ccccc2S(=O)(=O)NC)n1
InChIInChI=1S/C24H29N5O4S/c1-3-33-21-17-19(29-12-14-32-15-13-29)9-8-18(21)16-24-26-11-10-23(28-24)27-20-6-4-5-7-22(20)34(30,31)25-2/h4-11,17,25H,3,12-16H2,1-2H3,(H,26,27,28)
InChIKeyAAOBYCHVVFNIAV-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.95
Rot. Bonds9

About 2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide

2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide (PubChem CID 58235648) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is 2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
PubChem CID58235648
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
SMILESCCOc1cc(N2CCOCC2)ccc1Cc1nccc(Nc2ccccc2S(=O)(=O)NC)n1
InChIInChI=1S/C24H29N5O4S/c1-3-33-21-17-19(29-12-14-32-15-13-29)9-8-18(21)16-24-26-11-10-23(28-24)27-20-6-4-5-7-22(20)34(30,31)25-2/h4-11,17,25H,3,12-16H2,1-2H3,(H,26,27,28)
InChIKeyAAOBYCHVVFNIAV-UHFFFAOYSA-N
XLogP2.95
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-(2-ethoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 11698740
2-[[2-[2-(cyclopropylmethoxy)-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-5-iodopyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 70797496
6-N-(2-ethoxy-4-morpholin-4-ylphenyl)-4-N-(2-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 25226479
5-chloro-2-N-(2-ethoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine
CID 25225945
5-bromo-4-N-(2-butylsulfonylphenyl)-2-N-(2-ethoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 58235779
N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
CID 146864840
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
2-[[5-chloro-2-[2-ethoxy-4-[(3R)-3-methylpyrrolidin-1-yl]anilino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 59737649
2-[[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-5-iodopyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 70797368
1-(2-ethoxy-4-morpholin-4-ylphenyl)propan-2-amine
CID 170864869
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849
4-[3-(2-ethoxy-4-morpholin-4-ylphenyl)propyl]morpholine
CID 170870634

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide (CID 58235648) is 2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide is CCOc1cc(N2CCOCC2)ccc1Cc1nccc(Nc2ccccc2S(=O)(=O)NC)n1.
What is the InChIKey of 2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide?
The InChIKey is AAOBYCHVVFNIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-3-33-21-17-19(29-12-14-32-15-13-29)9-8-18(21)16-24-26-11-10-23(28-24)27-20-6-4-5-7-22(20)34(30,31)25-2/h4-11,17,25H,3,12-16H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide?
2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide has a molecular weight of 483.59 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-ethoxy-4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 58235648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).