N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

C15H23N3O4S — CID 95273962

IUPACN-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C
InChIInChI=1S/C15H23N3O4S/c1-4-18-10(2)7-13(11(18)3)15(20)16-8-14(19)17-12-5-6-23(21,22)9-12/h7,12H,4-6,8-9H2,1-3H3,(H,16,20)(H,17,19)/t12-/m1/s1
InChIKeyQHJQEPPZDZRSGB-GFCCVEGCSA-N
MW341.43 g/mol
LogP0.16
Rot. Bonds5

About N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 95273962) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID95273962
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C
InChIInChI=1S/C15H23N3O4S/c1-4-18-10(2)7-13(11(18)3)15(20)16-8-14(19)17-12-5-6-23(21,22)9-12/h7,12H,4-6,8-9H2,1-3H3,(H,16,20)(H,17,19)/t12-/m1/s1
InChIKeyQHJQEPPZDZRSGB-GFCCVEGCSA-N
XLogP0.16
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide with MolForge

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Related Compounds

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
N-(1,1-dioxothiolan-3-yl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691263
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 110673351
3-bromo-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]benzamide
CID 51240327
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide
CID 110406991
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-oxochromene-3-carboxamide
CID 110673344
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3-(4-ethylphenyl)propanamide
CID 110600975
6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide
CID 52515152
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110605998
2-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 45148400
N-(1,1-dioxothiolan-3-yl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996740
N-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 94018334

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (CID 95273962) is N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is CCn1c(C)cc(C(=O)NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C.
What is the InChIKey of N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is QHJQEPPZDZRSGB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-4-18-10(2)7-13(11(18)3)15(20)16-8-14(19)17-12-5-6-23(21,22)9-12/h7,12H,4-6,8-9H2,1-3H3,(H,16,20)(H,17,19)/t12-/m1/s1.
What are the key properties of N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 95273962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).