N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide

C23H28N2O3S2 — CID 68948843

IUPACN-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide
SMILESC[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1ccc(-c2ccoc2)s1
InChIInChI=1S/C23H28N2O3S2/c1-17(14-18-6-2-3-7-18)24-15-19-8-4-5-9-21(19)25-30(26,27)23-11-10-22(29-23)20-12-13-28-16-20/h4-5,8-13,16-18,24-25H,2-3,6-7,14-15H2,1H3/t17-/m0/s1
InChIKeyRZPYXTCLECTWCB-KRWDZBQOSA-N
MW444.62 g/mol
LogP5.87
Rot. Bonds9

About N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide

N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide (PubChem CID 68948843) has the molecular formula C23H28N2O3S2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide
PubChem CID68948843
Molecular FormulaC23H28N2O3S2
Molecular Weight444.62 g/mol
Exact Mass444.15
IUPAC NameN-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide
SMILESC[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1ccc(-c2ccoc2)s1
InChIInChI=1S/C23H28N2O3S2/c1-17(14-18-6-2-3-7-18)24-15-19-8-4-5-9-21(19)25-30(26,27)23-11-10-22(29-23)20-12-13-28-16-20/h4-5,8-13,16-18,24-25H,2-3,6-7,14-15H2,1H3/t17-/m0/s1
InChIKeyRZPYXTCLECTWCB-KRWDZBQOSA-N
XLogP5.87
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide (CID 68948843) is N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide is C[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1ccc(-c2ccoc2)s1.
What is the InChIKey of N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide?
The InChIKey is RZPYXTCLECTWCB-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O3S2/c1-17(14-18-6-2-3-7-18)24-15-19-8-4-5-9-21(19)25-30(26,27)23-11-10-22(29-23)20-12-13-28-16-20/h4-5,8-13,16-18,24-25H,2-3,6-7,14-15H2,1H3/t17-/m0/s1.
What are the key properties of N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide?
N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide has a molecular weight of 444.62 g/mol, XLogP of 5.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-5-(furan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 68948843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).