N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C21H23FN4O3S — CID 31205800

IUPACN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C21H23FN4O3S/c1-13-17-20(24-12-25(2)21(17)28)30-18(13)19(27)23-11-16(26-7-9-29-10-8-26)14-3-5-15(22)6-4-14/h3-6,12,16H,7-11H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyFQDKAFCCWSGSIM-MRXNPFEDSA-N
MW430.51 g/mol
LogP2.25
Rot. Bonds5

About N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 31205800) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID31205800
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C21H23FN4O3S/c1-13-17-20(24-12-25(2)21(17)28)30-18(13)19(27)23-11-16(26-7-9-29-10-8-26)14-3-5-15(22)6-4-14/h3-6,12,16H,7-11H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyFQDKAFCCWSGSIM-MRXNPFEDSA-N
XLogP2.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 42905423
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4807578
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide
CID 86978865
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110889150
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 17477344
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
CID 30878247
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 60537997
5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 94332656
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide
CID 29223882
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 31205800) is N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)sc2ncn(C)c(=O)c12.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FQDKAFCCWSGSIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-13-17-20(24-12-25(2)21(17)28)30-18(13)19(27)23-11-16(26-7-9-29-10-8-26)14-3-5-15(22)6-4-14/h3-6,12,16H,7-11H2,1-2H3,(H,23,27)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 31205800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).