[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate

C20H26N4O4S — CID 69153019

IUPAC[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate
SMILESCCN1CCCC(NC(=O)Oc2cc(-c3ccc(OC)cc3)sc2NC(N)=O)C1
InChIInChI=1S/C20H26N4O4S/c1-3-24-10-4-5-14(12-24)22-20(26)28-16-11-17(29-18(16)23-19(21)25)13-6-8-15(27-2)9-7-13/h6-9,11,14H,3-5,10,12H2,1-2H3,(H,22,26)(H3,21,23,25)
InChIKeyNNXFSSRCUJFAKK-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.49
Rot. Bonds6

About [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate

[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate (PubChem CID 69153019) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Name[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate
PubChem CID69153019
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate
SMILESCCN1CCCC(NC(=O)Oc2cc(-c3ccc(OC)cc3)sc2NC(N)=O)C1
InChIInChI=1S/C20H26N4O4S/c1-3-24-10-4-5-14(12-24)22-20(26)28-16-11-17(29-18(16)23-19(21)25)13-6-8-15(27-2)9-7-13/h6-9,11,14H,3-5,10,12H2,1-2H3,(H,22,26)(H3,21,23,25)
InChIKeyNNXFSSRCUJFAKK-UHFFFAOYSA-N
XLogP3.49
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate
CID 69153291
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-azepan-3-yl]carbamate
CID 69152628
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate
CID 69153822
2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide
CID 67078144
[2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate
CID 69154046
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 174506569
N-(1-ethylpiperidin-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61151217
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287
[3-[(3S)-3-aminoazepane-1-carbonyl]-5-(4-methoxyphenyl)thiophen-2-yl]urea;hydrochloride
CID 68960850
2-(carbamoylamino)-N-(2-methoxyethyl)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 11624450
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
(3R)-3-[[2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophene-3-carbonyl]amino]piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 68959524

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate?
The IUPAC name of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate (CID 69153019) is [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate.
What is the SMILES notation for [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate?
The canonical SMILES for [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate is CCN1CCCC(NC(=O)Oc2cc(-c3ccc(OC)cc3)sc2NC(N)=O)C1.
What is the InChIKey of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate?
The InChIKey is NNXFSSRCUJFAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-3-24-10-4-5-14(12-24)22-20(26)28-16-11-17(29-18(16)23-19(21)25)13-6-8-15(27-2)9-7-13/h6-9,11,14H,3-5,10,12H2,1-2H3,(H,22,26)(H3,21,23,25).
What are the key properties of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate?
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate has a molecular weight of 418.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate is sourced from PubChem (CID 69153019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).