(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide

C15H25N3O4S — CID 51725387

IUPAC(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(N[C@@H](C)C(=O)NCC(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-10(2)9-16-15(19)11(3)17-12-6-7-14(22-4)13(8-12)18-23(5,20)21/h6-8,10-11,17-18H,9H2,1-5H3,(H,16,19)/t11-/m0/s1
InChIKeyKEHNAMQFNFUYPQ-NSHDSACASA-N
MW343.45 g/mol
LogP1.64
Rot. Bonds8

About (2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide

(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide (PubChem CID 51725387) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
PubChem CID51725387
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(N[C@@H](C)C(=O)NCC(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-10(2)9-16-15(19)11(3)17-12-6-7-14(22-4)13(8-12)18-23(5,20)21/h6-8,10-11,17-18H,9H2,1-5H3,(H,16,19)/t11-/m0/s1
InChIKeyKEHNAMQFNFUYPQ-NSHDSACASA-N
XLogP1.64
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725386
(2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide
CID 37329441
(2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 37065929
2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
CID 113219253
2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113511
2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
CID 43380767
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide
CID 55559864
(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide
CID 41397283
2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 82868278
N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
CID 47079085
N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329403
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide (CID 51725387) is (2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide is COc1ccc(N[C@@H](C)C(=O)NCC(C)C)cc1NS(C)(=O)=O.
What is the InChIKey of (2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide?
The InChIKey is KEHNAMQFNFUYPQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-10(2)9-16-15(19)11(3)17-12-6-7-14(22-4)13(8-12)18-23(5,20)21/h6-8,10-11,17-18H,9H2,1-5H3,(H,16,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide?
(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide has a molecular weight of 343.45 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 51725387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).