N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide

C19H19N3O4S — CID 59923435

IUPACN-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide
SMILESN#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H19N3O4S/c20-11-12-21-19(24)17(22-18(23)16-9-5-2-6-10-16)14-27(25,26)13-15-7-3-1-4-8-15/h1-10,17H,12-14H2,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyFEMFLWIXDVYTIX-KRWDZBQOSA-N
MW385.45 g/mol
LogP1.04
Rot. Bonds8

About N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide

N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 59923435) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID59923435
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide
SMILESN#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H19N3O4S/c20-11-12-21-19(24)17(22-18(23)16-9-5-2-6-10-16)14-27(25,26)13-15-7-3-1-4-8-15/h1-10,17H,12-14H2,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyFEMFLWIXDVYTIX-KRWDZBQOSA-N
XLogP1.04
TPSA116.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-bromophenyl)methylsulfonyl]-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide
CID 18381837
N-[3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 18381752
3-acetyl-N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide
CID 59923426
(2R)-2-acetamido-3-benzylsulfonyl-N-(cyanomethyl)propanamide
CID 87934381
N-[1-(cyanomethylamino)-1-oxo-3-[[4-(trifluoromethylsulfanyl)phenyl]methylsulfonyl]propan-2-yl]benzamide
CID 18381857
N-[1-(cyanomethylamino)-3-[(2-fluoro-6-nitrophenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide
CID 18381824
N-[1-(cyanomethylamino)-3-(2-fluoro-3-methylphenyl)sulfonyl-1-oxopropan-2-yl]benzamide
CID 10294577
N-[1-(cyanomethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 87926791
[3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl] N-(2-methoxyethyl)carbamate
CID 57451896
N-[1-(cyanomethylamino)-1-oxo-4-phenoxybutan-2-yl]benzamide
CID 18421801
3-(aminomethyl)-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 85049886
[(2R)-1-(cyanomethylamino)-3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxopropan-2-yl]carbamic acid
CID 142051589

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide (CID 59923435) is N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide is N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is FEMFLWIXDVYTIX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O4S/c20-11-12-21-19(24)17(22-18(23)16-9-5-2-6-10-16)14-27(25,26)13-15-7-3-1-4-8-15/h1-10,17H,12-14H2,(H,21,24)(H,22,23)/t17-/m0/s1.
What are the key properties of N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide?
N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 385.45 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 59923435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).