N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide

C17H25N3O4S — CID 56917048

IUPACN-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NCC1(O)CCCN(C(=O)c2cccs2)CC1)N1CCOCC1
InChIInChI=1S/C17H25N3O4S/c21-15(14-3-1-12-25-14)19-6-2-4-17(23,5-7-19)13-18-16(22)20-8-10-24-11-9-20/h1,3,12,23H,2,4-11,13H2,(H,18,22)
InChIKeyTUZICZZGKIXAPA-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.15
Rot. Bonds3

About N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide

N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide (PubChem CID 56917048) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide
PubChem CID56917048
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NCC1(O)CCCN(C(=O)c2cccs2)CC1)N1CCOCC1
InChIInChI=1S/C17H25N3O4S/c21-15(14-3-1-12-25-14)19-6-2-4-17(23,5-7-19)13-18-16(22)20-8-10-24-11-9-20/h1,3,12,23H,2,4-11,13H2,(H,18,22)
InChIKeyTUZICZZGKIXAPA-UHFFFAOYSA-N
XLogP1.15
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]morpholine-4-carboxamide
CID 78993303
4-(thiophene-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 121496273
N-methyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 97212820
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1256130
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 51186037
N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 71931543
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
N-[(1-hydroxycyclohexyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 111446061
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627

Frequently Asked Questions

What is the IUPAC name of N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide (CID 56917048) is N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide is O=C(NCC1(O)CCCN(C(=O)c2cccs2)CC1)N1CCOCC1.
What is the InChIKey of N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide?
The InChIKey is TUZICZZGKIXAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c21-15(14-3-1-12-25-14)19-6-2-4-17(23,5-7-19)13-18-16(22)20-8-10-24-11-9-20/h1,3,12,23H,2,4-11,13H2,(H,18,22).
What are the key properties of N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide?
N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-hydroxy-1-(thiophene-2-carbonyl)azepan-4-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 56917048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).