N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine

C24H23ClN4O3S2 — CID 28505372

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(-c2csc3ncnc(Nc4cc(S(=O)(=O)N5CCOCC5)ccc4Cl)c23)cc1
InChIInChI=1S/C24H23ClN4O3S2/c1-2-16-3-5-17(6-4-16)19-14-33-24-22(19)23(26-15-27-24)28-21-13-18(7-8-20(21)25)34(30,31)29-9-11-32-12-10-29/h3-8,13-15H,2,9-12H2,1H3,(H,26,27,28)
InChIKeySFLPRCCRGXXYHM-UHFFFAOYSA-N
MW515.06 g/mol
LogP5.34
Rot. Bonds6

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 28505372) has the molecular formula C24H23ClN4O3S2 and a molecular weight of 515.06 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID28505372
Molecular FormulaC24H23ClN4O3S2
Molecular Weight515.06 g/mol
Exact Mass514.09
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(-c2csc3ncnc(Nc4cc(S(=O)(=O)N5CCOCC5)ccc4Cl)c23)cc1
InChIInChI=1S/C24H23ClN4O3S2/c1-2-16-3-5-17(6-4-16)19-14-33-24-22(19)23(26-15-27-24)28-21-13-18(7-8-20(21)25)34(30,31)29-9-11-32-12-10-29/h3-8,13-15H,2,9-12H2,1H3,(H,26,27,28)
InChIKeySFLPRCCRGXXYHM-UHFFFAOYSA-N
XLogP5.34
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.06
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methylbenzoic acid
CID 21012436
4-[[6-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
CID 17436307
4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 23913167
methyl 2-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21011004
N-ethyl-2-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide
CID 21010398
N-(2-chlorophenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009623
5-chloro-2-methoxy-4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 21011212
5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 24980394
5-(4-propan-2-ylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110447011
4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoic acid
CID 28840699
5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695571
3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-[(4-ethoxyphenyl)methyl]-1-methylthiourea
CID 55353506

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 28505372) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine is CCc1ccc(-c2csc3ncnc(Nc4cc(S(=O)(=O)N5CCOCC5)ccc4Cl)c23)cc1.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SFLPRCCRGXXYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3S2/c1-2-16-3-5-17(6-4-16)19-14-33-24-22(19)23(26-15-27-24)28-21-13-18(7-8-20(21)25)34(30,31)29-9-11-32-12-10-29/h3-8,13-15H,2,9-12H2,1H3,(H,26,27,28).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 515.06 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28505372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).