N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide

C19H24FN3O5S — CID 67021726

IUPACN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C19H24FN3O5S/c1-13(15-5-6-16(20)17(11-15)28-12-14-3-4-14)22-29(26,27)10-2-8-23-9-7-18(24)21-19(23)25/h5-7,9,11,13-14,22H,2-4,8,10,12H2,1H3,(H,21,24,25)/t13-/m1/s1
InChIKeyNJASYHKQJLJIAE-CYBMUJFWSA-N
MW425.48 g/mol
LogP1.54
Rot. Bonds10

About N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide (PubChem CID 67021726) has the molecular formula C19H24FN3O5S and a molecular weight of 425.48 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
PubChem CID67021726
Molecular FormulaC19H24FN3O5S
Molecular Weight425.48 g/mol
Exact Mass425.14
IUPAC NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C19H24FN3O5S/c1-13(15-5-6-16(20)17(11-15)28-12-14-3-4-14)22-29(26,27)10-2-8-23-9-7-18(24)21-19(23)25/h5-7,9,11,13-14,22H,2-4,8,10,12H2,1H3,(H,21,24,25)/t13-/m1/s1
InChIKeyNJASYHKQJLJIAE-CYBMUJFWSA-N
XLogP1.54
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide (CID 67021726) is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide?
The InChIKey is NJASYHKQJLJIAE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24FN3O5S/c1-13(15-5-6-16(20)17(11-15)28-12-14-3-4-14)22-29(26,27)10-2-8-23-9-7-18(24)21-19(23)25/h5-7,9,11,13-14,22H,2-4,8,10,12H2,1H3,(H,21,24,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide?
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide has a molecular weight of 425.48 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 67021726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).