[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate

C18H22N4O4S — CID 69153310

IUPAC[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate
SMILESCOc1ccc(-c2cc(OC(=O)N[C@@H]3CCCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C18H22N4O4S/c1-25-13-6-4-11(5-7-13)15-9-14(16(27-15)22-17(19)23)26-18(24)21-12-3-2-8-20-10-12/h4-7,9,12,20H,2-3,8,10H2,1H3,(H,21,24)(H3,19,22,23)/t12-/m1/s1
InChIKeyFAZPUNMKNXSDEB-GFCCVEGCSA-N
MW390.47 g/mol
LogP2.75
Rot. Bonds5

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

[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate (PubChem CID 69153310) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate.

Molecular Properties

Compound Name[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate
PubChem CID69153310
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate
SMILESCOc1ccc(-c2cc(OC(=O)N[C@@H]3CCCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C18H22N4O4S/c1-25-13-6-4-11(5-7-13)15-9-14(16(27-15)22-17(19)23)26-18(24)21-12-3-2-8-20-10-12/h4-7,9,12,20H,2-3,8,10H2,1H3,(H,21,24)(H3,19,22,23)/t12-/m1/s1
InChIKeyFAZPUNMKNXSDEB-GFCCVEGCSA-N
XLogP2.75
TPSA114.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]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

[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)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate
CID 69153291
[2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate
CID 69154046
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate
CID 69153019
2-(carbamoylamino)-5-(4-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11349000
3-(carbamoylamino)-5-(3,4-dimethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077396
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
2-(carbamoylamino)-5-[4-(cyanomethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077917
3-(carbamoylamino)-5-(2,5-dimethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077403
3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119427157
[3-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)thiophen-2-yl]urea
CID 11494523

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate?
The IUPAC name of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate (CID 69153310) is [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate.
What is the SMILES notation for [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate?
The canonical SMILES for [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate is COc1ccc(-c2cc(OC(=O)N[C@@H]3CCCNC3)c(NC(N)=O)s2)cc1.
What is the InChIKey of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate?
The InChIKey is FAZPUNMKNXSDEB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-25-13-6-4-11(5-7-13)15-9-14(16(27-15)22-17(19)23)26-18(24)21-12-3-2-8-20-10-12/h4-7,9,12,20H,2-3,8,10H2,1H3,(H,21,24)(H3,19,22,23)/t12-/m1/s1.
What are the key properties of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate?
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate has a molecular weight of 390.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 4 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-[(3R)-piperidin-3-yl]carbamate is sourced from PubChem (CID 69153310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).