N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide

C20H29N3O5S — CID 91669035

IUPACN-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCN1CCC(=O)NC1=O)c1cccc(OCC2CC2)c1
InChIInChI=1S/C20H29N3O5S/c1-2-18(16-5-3-6-17(13-16)28-14-15-7-8-15)22-29(26,27)12-4-10-23-11-9-19(24)21-20(23)25/h3,5-6,13,15,18,22H,2,4,7-12,14H2,1H3,(H,21,24,25)/t18-/m1/s1
InChIKeyWHUZLWMFZVSWDR-GOSISDBHSA-N
MW423.54 g/mol
LogP2.18
Rot. Bonds11

About N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide

N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide (PubChem CID 91669035) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide
PubChem CID91669035
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC NameN-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCN1CCC(=O)NC1=O)c1cccc(OCC2CC2)c1
InChIInChI=1S/C20H29N3O5S/c1-2-18(16-5-3-6-17(13-16)28-14-15-7-8-15)22-29(26,27)12-4-10-23-11-9-19(24)21-20(23)25/h3,5-6,13,15,18,22H,2,4,7-12,14H2,1H3,(H,21,24,25)/t18-/m1/s1
InChIKeyWHUZLWMFZVSWDR-GOSISDBHSA-N
XLogP2.18
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide (CID 91669035) is N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide is CC[C@@H](NS(=O)(=O)CCCN1CCC(=O)NC1=O)c1cccc(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide?
The InChIKey is WHUZLWMFZVSWDR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-2-18(16-5-3-6-17(13-16)28-14-15-7-8-15)22-29(26,27)12-4-10-23-11-9-19(24)21-20(23)25/h3,5-6,13,15,18,22H,2,4,7-12,14H2,1H3,(H,21,24,25)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide?
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide has a molecular weight of 423.54 g/mol, XLogP of 2.18, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 91669035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).