N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide

C19H27NO3S2 — CID 66775633

IUPACN-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)Cc1cc(-c2ccc(CO)cc2)c(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C19H27NO3S2/c1-13(2)10-16-11-17(15-8-6-14(12-21)7-9-15)18(24-16)25(22,23)20-19(3,4)5/h6-9,11,13,20-21H,10,12H2,1-5H3
InChIKeyKPINPUXCCRHLOM-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.18
Rot. Bonds6

About N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide

N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 66775633) has the molecular formula C19H27NO3S2 and a molecular weight of 381.56 g/mol. Its IUPAC name is N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
PubChem CID66775633
Molecular FormulaC19H27NO3S2
Molecular Weight381.56 g/mol
Exact Mass381.14
IUPAC NameN-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)Cc1cc(-c2ccc(CO)cc2)c(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C19H27NO3S2/c1-13(2)10-16-11-17(15-8-6-14(12-21)7-9-15)18(24-16)25(22,23)20-19(3,4)5/h6-9,11,13,20-21H,10,12H2,1-5H3
InChIKeyKPINPUXCCRHLOM-UHFFFAOYSA-N
XLogP4.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide (CID 66775633) is N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide is CC(C)Cc1cc(-c2ccc(CO)cc2)c(S(=O)(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is KPINPUXCCRHLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3S2/c1-13(2)10-16-11-17(15-8-6-14(12-21)7-9-15)18(24-16)25(22,23)20-19(3,4)5/h6-9,11,13,20-21H,10,12H2,1-5H3.
What are the key properties of N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide?
N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 381.56 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[4-(hydroxymethyl)phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 66775633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).