(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide

C18H23N3O5S2 — CID 125054821

IUPAC(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
SMILESCN(c1cccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O5S2/c1-20(27(3,23)24)16-12-8-11-15(13-16)19-18(22)17(21(2)28(4,25)26)14-9-6-5-7-10-14/h5-13,17H,1-4H3,(H,19,22)/t17-/m0/s1
InChIKeyZACBGPKODNRSJF-KRWDZBQOSA-N
MW425.53 g/mol
LogP1.65
Rot. Bonds7

About (2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide

(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide (PubChem CID 125054821) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is (2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
PubChem CID125054821
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC Name(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
SMILESCN(c1cccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O5S2/c1-20(27(3,23)24)16-12-8-11-15(13-16)19-18(22)17(21(2)28(4,25)26)14-9-6-5-7-10-14/h5-13,17H,1-4H3,(H,19,22)/t17-/m0/s1
InChIKeyZACBGPKODNRSJF-KRWDZBQOSA-N
XLogP1.65
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
N-(3-ethoxyphenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184977
(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125054387
1-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(1-phenylethyl)thiourea
CID 133197047
1-[3-[methyl(methylsulfonyl)amino]phenyl]-3-[(1S)-1-phenylethyl]thiourea
CID 100583440
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide
CID 2942864
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133210950
(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125060901
(2S)-2-benzylsulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 126135835
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(2-phenylphenyl)acetamide
CID 125058384
N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184237

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide (CID 125054821) is (2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide is CN(c1cccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide?
The InChIKey is ZACBGPKODNRSJF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c1-20(27(3,23)24)16-12-8-11-15(13-16)19-18(22)17(21(2)28(4,25)26)14-9-6-5-7-10-14/h5-13,17H,1-4H3,(H,19,22)/t17-/m0/s1.
What are the key properties of (2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide?
(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide has a molecular weight of 425.53 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 125054821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).