2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide

C15H17N3O5S2 — CID 2905407

IUPAC2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide
SMILESCCCC(C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C15H17N3O5S2/c1-3-4-10(2)14(19)17-15-16-9-13(24-15)25(22,23)12-7-5-11(6-8-12)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyWEEIACNYUMMZHT-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.26
Rot. Bonds7

About 2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide

2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide (PubChem CID 2905407) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide
PubChem CID2905407
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Name2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide
SMILESCCCC(C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C15H17N3O5S2/c1-3-4-10(2)14(19)17-15-16-9-13(24-15)25(22,23)12-7-5-11(6-8-12)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyWEEIACNYUMMZHT-UHFFFAOYSA-N
XLogP3.26
TPSA119.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of 2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide (CID 2905407) is 2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for 2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for 2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide is CCCC(C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide?
The InChIKey is WEEIACNYUMMZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c1-3-4-10(2)14(19)17-15-16-9-13(24-15)25(22,23)12-7-5-11(6-8-12)18(20)21/h5-10H,3-4H2,1-2H3,(H,16,17,19).
What are the key properties of 2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide?
2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide has a molecular weight of 383.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 2905407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).