N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

C19H29N3O6S2 — CID 41167231

IUPACN-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCCCCN(C(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H29N3O6S2/c1-2-3-11-22(16-8-12-29(25,26)15-16)19(24)14-20-13-17(6-7-18(20)23)30(27,28)21-9-4-5-10-21/h6-7,13,16H,2-5,8-12,14-15H2,1H3/t16-/m1/s1
InChIKeyHXZIWGZAGIIDTI-MRXNPFEDSA-N
MW459.59 g/mol
LogP0.45
Rot. Bonds8

About N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (PubChem CID 41167231) has the molecular formula C19H29N3O6S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
PubChem CID41167231
Molecular FormulaC19H29N3O6S2
Molecular Weight459.59 g/mol
Exact Mass459.15
IUPAC NameN-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCCCCN(C(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H29N3O6S2/c1-2-3-11-22(16-8-12-29(25,26)15-16)19(24)14-20-13-17(6-7-18(20)23)30(27,28)21-9-4-5-10-21/h6-7,13,16H,2-5,8-12,14-15H2,1H3/t16-/m1/s1
InChIKeyHXZIWGZAGIIDTI-MRXNPFEDSA-N
XLogP0.45
TPSA113.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-butyl-N-(1,1-dioxothiolan-3-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55508029
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55377281
N,N-diethyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170602
N-butyl-2-chloro-N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 55483224
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 84993885
5-(azepan-1-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-propylbenzamide
CID 24978947
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 42913629
N-butyl-3-[4-(diethylsulfamoyl)phenyl]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55508263
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(4-methoxyphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 25480352
N-butyl-2-cyclopentylsulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 97027582
N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 71894374
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 24674316

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The IUPAC name of N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (CID 41167231) is N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The canonical SMILES for N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is CCCCN(C(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The InChIKey is HXZIWGZAGIIDTI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O6S2/c1-2-3-11-22(16-8-12-29(25,26)15-16)19(24)14-20-13-17(6-7-18(20)23)30(27,28)21-9-4-5-10-21/h6-7,13,16H,2-5,8-12,14-15H2,1H3/t16-/m1/s1.
What are the key properties of N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide has a molecular weight of 459.59 g/mol, XLogP of 0.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is sourced from PubChem (CID 41167231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).