N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

C16H19N3O5S — CID 119104175

IUPACN-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCC(Cc1cc2ccccc2o1)NC(=O)N1CCN(S(C)(=O)=O)C1=O
InChIInChI=1S/C16H19N3O5S/c1-11(9-13-10-12-5-3-4-6-14(12)24-13)17-15(20)18-7-8-19(16(18)21)25(2,22)23/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)
InChIKeyOFHLETGRADQKMB-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.77
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (PubChem CID 119104175) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
PubChem CID119104175
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCC(Cc1cc2ccccc2o1)NC(=O)N1CCN(S(C)(=O)=O)C1=O
InChIInChI=1S/C16H19N3O5S/c1-11(9-13-10-12-5-3-4-6-14(12)24-13)17-15(20)18-7-8-19(16(18)21)25(2,22)23/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)
InChIKeyOFHLETGRADQKMB-UHFFFAOYSA-N
XLogP1.77
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide
CID 124891983
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 124760447
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 124759381
N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 119104163
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51321017
1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 119104199
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
CID 121021346
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide
CID 124892455
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide
CID 124761350
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 124759808

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (CID 119104175) is N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is CC(Cc1cc2ccccc2o1)NC(=O)N1CCN(S(C)(=O)=O)C1=O.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The InChIKey is OFHLETGRADQKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-11(9-13-10-12-5-3-4-6-14(12)24-13)17-15(20)18-7-8-19(16(18)21)25(2,22)23/h3-6,10-11H,7-9H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 119104175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).