N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide

C17H20ClNOS — CID 139604583

IUPACN-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide
SMILESCC(CCl)c1ccc(NC(=O)C(C)(C)c2cccs2)cc1
InChIInChI=1S/C17H20ClNOS/c1-12(11-18)13-6-8-14(9-7-13)19-16(20)17(2,3)15-5-4-10-21-15/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyAVRSUWOZMNJYJA-UHFFFAOYSA-N
MW321.87 g/mol
LogP5.01
Rot. Bonds5

About N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide

N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide (PubChem CID 139604583) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide
PubChem CID139604583
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC NameN-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide
SMILESCC(CCl)c1ccc(NC(=O)C(C)(C)c2cccs2)cc1
InChIInChI=1S/C17H20ClNOS/c1-12(11-18)13-6-8-14(9-7-13)19-16(20)17(2,3)15-5-4-10-21-15/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyAVRSUWOZMNJYJA-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.87
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide?
The IUPAC name of N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide (CID 139604583) is N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide is CC(CCl)c1ccc(NC(=O)C(C)(C)c2cccs2)cc1.
What is the InChIKey of N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide?
The InChIKey is AVRSUWOZMNJYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-12(11-18)13-6-8-14(9-7-13)19-16(20)17(2,3)15-5-4-10-21-15/h4-10,12H,11H2,1-3H3,(H,19,20).
What are the key properties of N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide?
N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide has a molecular weight of 321.87 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 139604583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).