(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide

C20H27N3O3S — CID 37329690

IUPAC(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H27N3O3S/c1-5-14(2)18-11-6-7-12-19(18)22-20(24)15(3)21-16-9-8-10-17(13-16)23-27(4,25)26/h6-15,21,23H,5H2,1-4H3,(H,22,24)/t14-,15-/m1/s1
InChIKeyBXKMUAYTGIPZBF-HUUCEWRRSA-N
MW389.52 g/mol
LogP4.01
Rot. Bonds8

About (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide (PubChem CID 37329690) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide
PubChem CID37329690
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H27N3O3S/c1-5-14(2)18-11-6-7-12-19(18)22-20(24)15(3)21-16-9-8-10-17(13-16)23-27(4,25)26/h6-15,21,23H,5H2,1-4H3,(H,22,24)/t14-,15-/m1/s1
InChIKeyBXKMUAYTGIPZBF-HUUCEWRRSA-N
XLogP4.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(naphthalen-2-ylamino)propanamide
CID 2438566
(2R)-2-(3-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 39415589
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 46512777
1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea
CID 108888011
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 9274223
(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide
CID 25354903
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide
CID 8019165

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide?
The IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide (CID 37329690) is (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide.
What is the SMILES notation for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide?
The canonical SMILES for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide is CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide?
The InChIKey is BXKMUAYTGIPZBF-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-5-14(2)18-11-6-7-12-19(18)22-20(24)15(3)21-16-9-8-10-17(13-16)23-27(4,25)26/h6-15,21,23H,5H2,1-4H3,(H,22,24)/t14-,15-/m1/s1.
What are the key properties of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide?
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide has a molecular weight of 389.52 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide is sourced from PubChem (CID 37329690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).