4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide

C19H26N2O2S2 — CID 40863323

IUPAC4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1
InChIInChI=1S/C19H26N2O2S2/c1-15(2)16-5-7-18(8-6-16)25(22,23)20-13-19(17-9-12-24-14-17)21-10-3-4-11-21/h5-9,12,14-15,19-20H,3-4,10-11,13H2,1-2H3/t19-/m0/s1
InChIKeyMBCYCOUOBBVZGC-IBGZPJMESA-N
MW378.56 g/mol
LogP3.99
Rot. Bonds7

About 4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide

4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide (PubChem CID 40863323) has the molecular formula C19H26N2O2S2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
PubChem CID40863323
Molecular FormulaC19H26N2O2S2
Molecular Weight378.56 g/mol
Exact Mass378.14
IUPAC Name4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1
InChIInChI=1S/C19H26N2O2S2/c1-15(2)16-5-7-18(8-6-16)25(22,23)20-13-19(17-9-12-24-14-17)21-10-3-4-11-21/h5-9,12,14-15,19-20H,3-4,10-11,13H2,1-2H3/t19-/m0/s1
InChIKeyMBCYCOUOBBVZGC-IBGZPJMESA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933039
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
CID 16933238
4-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932838
4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932837
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide
CID 40863945
N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 16933276
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]naphthalene-2-sulfonamide
CID 40863993
3-chloro-4-fluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863071
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285
N-[4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]butanamide
CID 16933077
N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]butanamide
CID 16933277
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16933043

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide (CID 40863323) is 4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
The InChIKey is MBCYCOUOBBVZGC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N2O2S2/c1-15(2)16-5-7-18(8-6-16)25(22,23)20-13-19(17-9-12-24-14-17)21-10-3-4-11-21/h5-9,12,14-15,19-20H,3-4,10-11,13H2,1-2H3/t19-/m0/s1.
What are the key properties of 4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide has a molecular weight of 378.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 40863323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).