N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide

C16H21N3O5S2 — CID 146124997

IUPACN-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(CS(C)(=O)=O)o1)C(=O)Nc1nccs1
InChIInChI=1S/C16H21N3O5S2/c1-10(2)8-12(14(20)19-16-17-6-7-25-16)18-15(21)13-5-4-11(24-13)9-26(3,22)23/h4-7,10,12H,8-9H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyMAQZTHFKOQBPHP-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.06
Rot. Bonds8

About N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide

N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide (PubChem CID 146124997) has the molecular formula C16H21N3O5S2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide
PubChem CID146124997
Molecular FormulaC16H21N3O5S2
Molecular Weight399.49 g/mol
Exact Mass399.09
IUPAC NameN-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(CS(C)(=O)=O)o1)C(=O)Nc1nccs1
InChIInChI=1S/C16H21N3O5S2/c1-10(2)8-12(14(20)19-16-17-6-7-25-16)18-15(21)13-5-4-11(24-13)9-26(3,22)23/h4-7,10,12H,8-9H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyMAQZTHFKOQBPHP-UHFFFAOYSA-N
XLogP2.06
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide
CID 97143321
4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide
CID 97143316
1-methyl-N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143319
1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143318
4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide
CID 75397995
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 95615306
(2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide
CID 164862469
benzyl N-[4-methylsulfonyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate
CID 55787359
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
4-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid
CID 43170140
N-(2-amino-1-cyclohexylethyl)-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 119589648
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide?
The IUPAC name of N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide (CID 146124997) is N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide is CC(C)CC(NC(=O)c1ccc(CS(C)(=O)=O)o1)C(=O)Nc1nccs1.
What is the InChIKey of N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide?
The InChIKey is MAQZTHFKOQBPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S2/c1-10(2)8-12(14(20)19-16-17-6-7-25-16)18-15(21)13-5-4-11(24-13)9-26(3,22)23/h4-7,10,12H,8-9H2,1-3H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide?
N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide is sourced from PubChem (CID 146124997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).