N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide

C21H23N3O5S — CID 174203666

IUPACN-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide
SMILESCS(=O)(=O)C=CC(NC(=O)c1cnc(OC2CC2)nc1Oc1ccccc1)C1CC1
InChIInChI=1S/C21H23N3O5S/c1-30(26,27)12-11-18(14-7-8-14)23-19(25)17-13-22-21(29-16-9-10-16)24-20(17)28-15-5-3-2-4-6-15/h2-6,11-14,16,18H,7-10H2,1H3,(H,23,25)
InChIKeyZWGYQIQEUATULR-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.88
Rot. Bonds9

About N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide

N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide (PubChem CID 174203666) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide
PubChem CID174203666
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide
SMILESCS(=O)(=O)C=CC(NC(=O)c1cnc(OC2CC2)nc1Oc1ccccc1)C1CC1
InChIInChI=1S/C21H23N3O5S/c1-30(26,27)12-11-18(14-7-8-14)23-19(25)17-13-22-21(29-16-9-10-16)24-20(17)28-15-5-3-2-4-6-15/h2-6,11-14,16,18H,7-10H2,1H3,(H,23,25)
InChIKeyZWGYQIQEUATULR-UHFFFAOYSA-N
XLogP2.88
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide?
The IUPAC name of N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide (CID 174203666) is N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide is CS(=O)(=O)C=CC(NC(=O)c1cnc(OC2CC2)nc1Oc1ccccc1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide?
The InChIKey is ZWGYQIQEUATULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-30(26,27)12-11-18(14-7-8-14)23-19(25)17-13-22-21(29-16-9-10-16)24-20(17)28-15-5-3-2-4-6-15/h2-6,11-14,16,18H,7-10H2,1H3,(H,23,25).
What are the key properties of N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide?
N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3-methylsulfonylprop-2-enyl)-2-cyclopropyloxy-4-phenoxypyrimidine-5-carboxamide is sourced from PubChem (CID 174203666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).