N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide

C19H22N2O3S2 — CID 45279671

IUPACN-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COCC[C@H]1c1ccc(-c2ccc(C#N)s2)cc1
InChIInChI=1S/C19H22N2O3S2/c1-13(2)26(22,23)21-18-12-24-10-9-17(18)14-3-5-15(6-4-14)19-8-7-16(11-20)25-19/h3-8,13,17-18,21H,9-10,12H2,1-2H3/t17-,18-/m0/s1
InChIKeyUXSMYQCVXXIEBJ-ROUUACIJSA-N
MW390.53 g/mol
LogP3.49
Rot. Bonds5

About N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide

N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide (PubChem CID 45279671) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide
PubChem CID45279671
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COCC[C@H]1c1ccc(-c2ccc(C#N)s2)cc1
InChIInChI=1S/C19H22N2O3S2/c1-13(2)26(22,23)21-18-12-24-10-9-17(18)14-3-5-15(6-4-14)19-8-7-16(11-20)25-19/h3-8,13,17-18,21H,9-10,12H2,1-2H3/t17-,18-/m0/s1
InChIKeyUXSMYQCVXXIEBJ-ROUUACIJSA-N
XLogP3.49
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44462786
CID 44462786
CID 52941684
CID 52941684
CID 52946383
CID 52946383
CID 30944291
CID 30944291
CID 71796616
CID 71796616
CID 75109931
CID 75109931
CID 134161822
CID 134161822
CID 134161827
CID 134161827
CID 27450227
CID 27450227
CID 24740201
CID 24740201
CID 24740202
CID 24740202
CID 45279582
CID 45279582

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide (CID 45279671) is N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1COCC[C@H]1c1ccc(-c2ccc(C#N)s2)cc1.
What is the InChIKey of N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide?
The InChIKey is UXSMYQCVXXIEBJ-ROUUACIJSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-13(2)26(22,23)21-18-12-24-10-9-17(18)14-3-5-15(6-4-14)19-8-7-16(11-20)25-19/h3-8,13,17-18,21H,9-10,12H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide?
N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide has a molecular weight of 390.53 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 45279671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).