5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide

C18H21N3O2S — CID 124565477

IUPAC5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide
SMILESO=C1CCN(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)CCN1
InChIInChI=1S/C18H21N3O2S/c22-17-8-10-21(11-9-19-17)18(23)20-15(16-7-4-12-24-16)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyYMSUSPXJBBJNFP-HNNXBMFYSA-N
MW343.45 g/mol
LogP2.56
Rot. Bonds4

About 5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide

5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide (PubChem CID 124565477) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide
PubChem CID124565477
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide
SMILESO=C1CCN(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)CCN1
InChIInChI=1S/C18H21N3O2S/c22-17-8-10-21(11-9-19-17)18(23)20-15(16-7-4-12-24-16)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyYMSUSPXJBBJNFP-HNNXBMFYSA-N
XLogP2.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95306843
4-[(5-oxo-1,4-diazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027125
1-[(2S)-2-amino-3-phenylpropanoyl]-1,4-diazepan-5-one
CID 78919913
N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 119794217
5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 60968905
N-[4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butyl]thiophene-2-carboxamide
CID 62047445
N-(1,2-diphenylethyl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 119061556
N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide
CID 146106412
1-(2-anilinoacetyl)-1,4-diazepan-5-one
CID 63004979
2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8549245
1-(2-oxo-2-thiophen-2-ylethyl)-1,4-diazepan-5-one
CID 63002735
1-(2-benzylsulfanylacetyl)-1,4-diazepan-5-one
CID 55154739

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide (CID 124565477) is 5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide is O=C1CCN(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)CCN1.
What is the InChIKey of 5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide?
The InChIKey is YMSUSPXJBBJNFP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17-8-10-21(11-9-19-17)18(23)20-15(16-7-4-12-24-16)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,19,22)(H,20,23)/t15-/m0/s1.
What are the key properties of 5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide?
5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 124565477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).