methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate

C30H36N4O4S — CID 23826029

IUPACmethyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cccc(CN(C(=O)c3cccs3)C3CCC(N)CC3)c2)ccc1N1CCOCC1
InChIInChI=1S/C30H36N4O4S/c1-37-30(36)32-26-19-23(7-12-27(26)33-13-15-38-16-14-33)22-5-2-4-21(18-22)20-34(25-10-8-24(31)9-11-25)29(35)28-6-3-17-39-28/h2-7,12,17-19,24-25H,8-11,13-16,20,31H2,1H3,(H,32,36)
InChIKeyUCWISJZPOAXPFA-UHFFFAOYSA-N
MW548.71 g/mol
LogP5.34
Rot. Bonds7

About methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate

methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate (PubChem CID 23826029) has the molecular formula C30H36N4O4S and a molecular weight of 548.71 g/mol. Its IUPAC name is methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate
PubChem CID23826029
Molecular FormulaC30H36N4O4S
Molecular Weight548.71 g/mol
Exact Mass548.25
IUPAC Namemethyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cccc(CN(C(=O)c3cccs3)C3CCC(N)CC3)c2)ccc1N1CCOCC1
InChIInChI=1S/C30H36N4O4S/c1-37-30(36)32-26-19-23(7-12-27(26)33-13-15-38-16-14-33)22-5-2-4-21(18-22)20-34(25-10-8-24(31)9-11-25)29(35)28-6-3-17-39-28/h2-7,12,17-19,24-25H,8-11,13-16,20,31H2,1H3,(H,32,36)
InChIKeyUCWISJZPOAXPFA-UHFFFAOYSA-N
XLogP5.34
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.71
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate 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

methyl N-(4-aminocyclohexyl)-N-[[3-[3-(cyclopentanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl]carbamate
CID 23732827
N-[5-[3-[[(4-aminocyclohexyl)-(3,4-dimethoxybenzoyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]pyridine-3-carboxamide
CID 23828203
N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 23992356
3-[(3,4-dimethoxybenzoyl)-[[3-[4-morpholin-4-yl-3-(thiophene-2-carbonylamino)phenyl]phenyl]methyl]amino]propanoic acid
CID 23824785
methyl N-(4-aminocyclohexyl)-N-[[3-[4-(4-benzylpiperidin-1-yl)-3-[(2-methoxyacetyl)amino]phenyl]phenyl]methyl]carbamate
CID 23853434
N-(4-aminocyclohexyl)-N-[[3-[3-benzamido-4-[3-(dimethylamino)propyl-methylamino]phenyl]phenyl]methyl]thiophene-2-carboxamide
CID 23885100
N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 23824913
methyl N-(4-aminocyclohexyl)-N-[[3-[3-benzamido-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]carbamate
CID 23736689
N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-(azepan-1-yl)phenyl]-4-nitrobenzamide
CID 23739134
3-[[3-[3-(cyclobutanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid
CID 23821900
N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide
CID 44534872
N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 2946303

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate?
The IUPAC name of methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate (CID 23826029) is methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate.
What is the SMILES notation for methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate?
The canonical SMILES for methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate is COC(=O)Nc1cc(-c2cccc(CN(C(=O)c3cccs3)C3CCC(N)CC3)c2)ccc1N1CCOCC1.
What is the InChIKey of methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate?
The InChIKey is UCWISJZPOAXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O4S/c1-37-30(36)32-26-19-23(7-12-27(26)33-13-15-38-16-14-33)22-5-2-4-21(18-22)20-34(25-10-8-24(31)9-11-25)29(35)28-6-3-17-39-28/h2-7,12,17-19,24-25H,8-11,13-16,20,31H2,1H3,(H,32,36).
What are the key properties of methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate?
methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate has a molecular weight of 548.71 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[3-[[(4-aminocyclohexyl)-(thiophene-2-carbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]carbamate is sourced from PubChem (CID 23826029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).