N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide

C21H26N2O3S — CID 24989128

IUPACN-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide
SMILESCC#CCN(C)C(COCc1ccccc1)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C21H26N2O3S/c1-4-5-15-23(2)21(17-26-16-18-9-7-6-8-10-18)19-11-13-20(14-12-19)22-27(3,24)25/h6-14,21-22H,15-17H2,1-3H3
InChIKeyRSCYDPNVBLFQEN-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.27
Rot. Bonds9

About N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide

N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide (PubChem CID 24989128) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide
PubChem CID24989128
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide
SMILESCC#CCN(C)C(COCc1ccccc1)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C21H26N2O3S/c1-4-5-15-23(2)21(17-26-16-18-9-7-6-8-10-18)19-11-13-20(14-12-19)22-27(3,24)25/h6-14,21-22H,15-17H2,1-3H3
InChIKeyRSCYDPNVBLFQEN-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-{4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-phenyl}-methanesulfonamide
CID 10184219
N-(3-(4-propylmorpholin-2-yl)phenyl)methanesulfonamide
CID 44443916
N-[4-[2-[methyl(2-phenoxyethyl)amino]ethyl]phenyl]methanesulfonamide
CID 44308471
N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 14645114
N-[4-[2-[benzyl(2-phenoxyethyl)amino]ethyl]phenyl]methanesulfonamide
CID 44308344
N-[4-[2-[2-phenoxyethyl(prop-2-enyl)amino]ethyl]phenyl]methanesulfonamide
CID 44308641
N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 24815540
N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 24815624
N-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide
CID 24816088
N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 24816166
N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-fluorobenzenesulfonamide
CID 24816250
2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide
CID 143299424

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide (CID 24989128) is N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide is CC#CCN(C)C(COCc1ccccc1)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide?
The InChIKey is RSCYDPNVBLFQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-5-15-23(2)21(17-26-16-18-9-7-6-8-10-18)19-11-13-20(14-12-19)22-27(3,24)25/h6-14,21-22H,15-17H2,1-3H3.
What are the key properties of N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide?
N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[but-2-ynyl(methyl)amino]-2-phenylmethoxyethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 24989128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).