N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide

C20H28N2O3S2 — CID 11979200

IUPACN-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CN[C@@H](CO)CC1CCCCC1)c1cccs1
InChIInChI=1S/C20H28N2O3S2/c23-15-18(13-16-7-2-1-3-8-16)21-14-17-9-4-5-10-19(17)22-27(24,25)20-11-6-12-26-20/h4-6,9-12,16,18,21-23H,1-3,7-8,13-15H2/t18-/m1/s1
InChIKeyQMPBPZVRXDRRBF-GOSISDBHSA-N
MW408.59 g/mol
LogP3.97
Rot. Bonds9

About N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide

N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide (PubChem CID 11979200) has the molecular formula C20H28N2O3S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide
PubChem CID11979200
Molecular FormulaC20H28N2O3S2
Molecular Weight408.59 g/mol
Exact Mass408.15
IUPAC NameN-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CN[C@@H](CO)CC1CCCCC1)c1cccs1
InChIInChI=1S/C20H28N2O3S2/c23-15-18(13-16-7-2-1-3-8-16)21-14-17-9-4-5-10-19(17)22-27(24,25)20-11-6-12-26-20/h4-6,9-12,16,18,21-23H,1-3,7-8,13-15H2/t18-/m1/s1
InChIKeyQMPBPZVRXDRRBF-GOSISDBHSA-N
XLogP3.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide (CID 11979200) is N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccccc1CN[C@@H](CO)CC1CCCCC1)c1cccs1.
What is the InChIKey of N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is QMPBPZVRXDRRBF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N2O3S2/c23-15-18(13-16-7-2-1-3-8-16)21-14-17-9-4-5-10-19(17)22-27(24,25)20-11-6-12-26-20/h4-6,9-12,16,18,21-23H,1-3,7-8,13-15H2/t18-/m1/s1.
What are the key properties of N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide?
N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 408.59 g/mol, XLogP of 3.97, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 11979200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).