N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide

C23H32N2O4S — CID 43891174

IUPACN-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C23H32N2O4S/c1-16(2)18-12-13-20(29-6)21(15-18)30(27,28)25-19(22(26)24-23(3,4)5)14-17-10-8-7-9-11-17/h7-13,15-16,19,25H,14H2,1-6H3,(H,24,26)
InChIKeyNCUDAMHAZPJZIN-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.62
Rot. Bonds8

About N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide

N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43891174) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43891174
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C23H32N2O4S/c1-16(2)18-12-13-20(29-6)21(15-18)30(27,28)25-19(22(26)24-23(3,4)5)14-17-10-8-7-9-11-17/h7-13,15-16,19,25H,14H2,1-6H3,(H,24,26)
InChIKeyNCUDAMHAZPJZIN-UHFFFAOYSA-N
XLogP3.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891209
N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891216
N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891194
(2S)-N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541491
(2S)-N-tert-butyl-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538888
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891180
butyl 4-[[2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate
CID 43891282
(2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94861073
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 28540451
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 43871158
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
CID 28543081
(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646025

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide (CID 43891174) is N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(C(C)C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is NCUDAMHAZPJZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-16(2)18-12-13-20(29-6)21(15-18)30(27,28)25-19(22(26)24-23(3,4)5)14-17-10-8-7-9-11-17/h7-13,15-16,19,25H,14H2,1-6H3,(H,24,26).
What are the key properties of N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 432.59 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43891174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).