N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide

C21H28N2O2S — CID 67419833

IUPACN-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNCC3CC3)cc2)cc1
InChIInChI=1S/C21H28N2O2S/c1-16(2)19-7-11-21(12-8-19)26(24,25)23-20-9-5-17(6-10-20)13-14-22-15-18-3-4-18/h5-12,16,18,22-23H,3-4,13-15H2,1-2H3
InChIKeySWBQHAMUSNMYEF-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.15
Rot. Bonds9

About N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide

N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 67419833) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID67419833
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNCC3CC3)cc2)cc1
InChIInChI=1S/C21H28N2O2S/c1-16(2)19-7-11-21(12-8-19)26(24,25)23-20-9-5-17(6-10-20)13-14-22-15-18-3-4-18/h5-12,16,18,22-23H,3-4,13-15H2,1-2H3
InChIKeySWBQHAMUSNMYEF-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 69242109
N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 11676519
2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid
CID 143211613
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide
CID 169370345
N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106060850
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
4-methyl-N-[4-[(4-propan-2-ylphenyl)methylsulfanyl]phenyl]benzenesulfonamide
CID 141122627
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide (CID 67419833) is N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNCC3CC3)cc2)cc1.
What is the InChIKey of N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is SWBQHAMUSNMYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-16(2)19-7-11-21(12-8-19)26(24,25)23-20-9-5-17(6-10-20)13-14-22-15-18-3-4-18/h5-12,16,18,22-23H,3-4,13-15H2,1-2H3.
What are the key properties of N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 67419833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).