(4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide

C19H32N4O5S — CID 86770831

IUPAC(4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide
SMILESCc1cc(CNC(=O)[C@@H]2CCC[C@@H](NS(=O)(=O)CC(C)C)CN(C)C(=O)C2)no1
InChIInChI=1S/C19H32N4O5S/c1-13(2)12-29(26,27)22-16-7-5-6-15(9-18(24)23(4)11-16)19(25)20-10-17-8-14(3)28-21-17/h8,13,15-16,22H,5-7,9-12H2,1-4H3,(H,20,25)/t15-,16-/m1/s1
InChIKeyRPMQZXOVRRBFFW-HZPDHXFCSA-N
MW428.56 g/mol
LogP1.19
Rot. Bonds7

About (4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide

(4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide (PubChem CID 86770831) has the molecular formula C19H32N4O5S and a molecular weight of 428.56 g/mol. Its IUPAC name is (4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide
PubChem CID86770831
Molecular FormulaC19H32N4O5S
Molecular Weight428.56 g/mol
Exact Mass428.21
IUPAC Name(4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide
SMILESCc1cc(CNC(=O)[C@@H]2CCC[C@@H](NS(=O)(=O)CC(C)C)CN(C)C(=O)C2)no1
InChIInChI=1S/C19H32N4O5S/c1-13(2)12-29(26,27)22-16-7-5-6-15(9-18(24)23(4)11-16)19(25)20-10-17-8-14(3)28-21-17/h8,13,15-16,22H,5-7,9-12H2,1-4H3,(H,20,25)/t15-,16-/m1/s1
InChIKeyRPMQZXOVRRBFFW-HZPDHXFCSA-N
XLogP1.19
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162983100
8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162798658
8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162869586
(4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 75411872
3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783675
4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783676
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 47864758
N-[(3R,7R)-7-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-9-oxoazonan-3-yl]-1,2-oxazole-5-carboxamide
CID 75411707
(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411890
(4R,8R)-8-(cyclopropylmethylamino)-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411891
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 47729955
(3R)-1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 95190901

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide (CID 86770831) is (4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide is Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](NS(=O)(=O)CC(C)C)CN(C)C(=O)C2)no1.
What is the InChIKey of (4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide?
The InChIKey is RPMQZXOVRRBFFW-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H32N4O5S/c1-13(2)12-29(26,27)22-16-7-5-6-15(9-18(24)23(4)11-16)19(25)20-10-17-8-14(3)28-21-17/h8,13,15-16,22H,5-7,9-12H2,1-4H3,(H,20,25)/t15-,16-/m1/s1.
What are the key properties of (4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide?
(4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(2-methylpropylsulfonylamino)-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 86770831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).