naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone

C26H29N3O3S — CID 93338782

IUPACnaphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCCN(C[C@H]2CN(C(=O)c3cccs3)CCO2)CC1
InChIInChI=1S/C26H29N3O3S/c30-25(22-9-8-20-5-1-2-6-21(20)17-22)28-11-4-10-27(12-13-28)18-23-19-29(14-15-32-23)26(31)24-7-3-16-33-24/h1-3,5-9,16-17,23H,4,10-15,18-19H2/t23-/m0/s1
InChIKeyDTEPKPVKWXTIDZ-QHCPKHFHSA-N
MW463.60 g/mol
LogP3.59
Rot. Bonds4

About naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone

naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 93338782) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone
PubChem CID93338782
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Namenaphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCCN(C[C@H]2CN(C(=O)c3cccs3)CCO2)CC1
InChIInChI=1S/C26H29N3O3S/c30-25(22-9-8-20-5-1-2-6-21(20)17-22)28-11-4-10-27(12-13-28)18-23-19-29(14-15-32-23)26(31)24-7-3-16-33-24/h1-3,5-9,16-17,23H,4,10-15,18-19H2/t23-/m0/s1
InChIKeyDTEPKPVKWXTIDZ-QHCPKHFHSA-N
XLogP3.59
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 42861924
(2S)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990013
(2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990012
(2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide
CID 92990014
(3,4-dimethoxyphenyl)-[4-[[(2S)-4-(2-methylbenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 93338476
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
2-[[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl]-N-benzylmorpholine-4-carboxamide
CID 46060446
1-[2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-phenoxyethanone
CID 46059870
N-benzyl-2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide
CID 46060441
(2R)-2-[[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92989998
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42245309
1H-indol-6-yl-[4-(oxan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 138386314

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone (CID 93338782) is naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone is O=C(c1ccc2ccccc2c1)N1CCCN(C[C@H]2CN(C(=O)c3cccs3)CCO2)CC1.
What is the InChIKey of naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is DTEPKPVKWXTIDZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H29N3O3S/c30-25(22-9-8-20-5-1-2-6-21(20)17-22)28-11-4-10-27(12-13-28)18-23-19-29(14-15-32-23)26(31)24-7-3-16-33-24/h1-3,5-9,16-17,23H,4,10-15,18-19H2/t23-/m0/s1.
What are the key properties of naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone?
naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 463.60 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 93338782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).