N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide

C19H27NO3S2 — CID 19389861

IUPACN-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
SMILESCCCCc1cc(-c2ccccc2CO)c(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C19H27NO3S2/c1-5-6-10-15-12-17(16-11-8-7-9-14(16)13-21)18(24-15)25(22,23)20-19(2,3)4/h7-9,11-12,20-21H,5-6,10,13H2,1-4H3
InChIKeyUCAJXDZHAGBPBO-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.33
Rot. Bonds7

About N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide

N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 19389861) has the molecular formula C19H27NO3S2 and a molecular weight of 381.56 g/mol. Its IUPAC name is N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
PubChem CID19389861
Molecular FormulaC19H27NO3S2
Molecular Weight381.56 g/mol
Exact Mass381.14
IUPAC NameN-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
SMILESCCCCc1cc(-c2ccccc2CO)c(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C19H27NO3S2/c1-5-6-10-15-12-17(16-11-8-7-9-14(16)13-21)18(24-15)25(22,23)20-19(2,3)4/h7-9,11-12,20-21H,5-6,10,13H2,1-4H3
InChIKeyUCAJXDZHAGBPBO-UHFFFAOYSA-N
XLogP4.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide (CID 19389861) is N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide is CCCCc1cc(-c2ccccc2CO)c(S(=O)(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is UCAJXDZHAGBPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3S2/c1-5-6-10-15-12-17(16-11-8-7-9-14(16)13-21)18(24-15)25(22,23)20-19(2,3)4/h7-9,11-12,20-21H,5-6,10,13H2,1-4H3.
What are the key properties of N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 381.56 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-butyl-3-[2-(hydroxymethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 19389861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).