N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide

C18H24N2O3S2 — CID 39596248

IUPACN-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide
SMILESCC(C)(C)C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)c1ccccc1
InChIInChI=1S/C18H24N2O3S2/c1-18(2,3)12-15(13-7-5-4-6-8-13)20-16(21)11-14-9-10-17(24-14)25(19,22)23/h4-10,15H,11-12H2,1-3H3,(H,20,21)(H2,19,22,23)/t15-/m0/s1
InChIKeyBFZARPBUYIALSM-HNNXBMFYSA-N
MW380.54 g/mol
LogP3.23
Rot. Bonds6

About N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide

N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide (PubChem CID 39596248) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide
PubChem CID39596248
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC NameN-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide
SMILESCC(C)(C)C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)c1ccccc1
InChIInChI=1S/C18H24N2O3S2/c1-18(2,3)12-15(13-7-5-4-6-8-13)20-16(21)11-14-9-10-17(24-14)25(19,22)23/h4-10,15H,11-12H2,1-3H3,(H,20,21)(H2,19,22,23)/t15-/m0/s1
InChIKeyBFZARPBUYIALSM-HNNXBMFYSA-N
XLogP3.23
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide?
The IUPAC name of N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide (CID 39596248) is N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide?
The canonical SMILES for N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide is CC(C)(C)C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)c1ccccc1.
What is the InChIKey of N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide?
The InChIKey is BFZARPBUYIALSM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-18(2,3)12-15(13-7-5-4-6-8-13)20-16(21)11-14-9-10-17(24-14)25(19,22)23/h4-10,15H,11-12H2,1-3H3,(H,20,21)(H2,19,22,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide?
N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide has a molecular weight of 380.54 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3,3-dimethyl-1-phenylbutyl]-2-(5-sulfamoylthiophen-2-yl)acetamide is sourced from PubChem (CID 39596248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).