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

C19H24N4O4S — CID 69153291

IUPAC[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate
SMILESCOc1ccc(-c2cc(OC(=O)N[C@H]3CCCN(C)C3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C19H24N4O4S/c1-23-9-3-4-13(11-23)21-19(25)27-15-10-16(28-17(15)22-18(20)24)12-5-7-14(26-2)8-6-12/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,21,25)(H3,20,22,24)/t13-/m0/s1
InChIKeyZBKDQMUOEYMOAB-ZDUSSCGKSA-N
MW404.49 g/mol
LogP3.10
Rot. Bonds5

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

[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate (PubChem CID 69153291) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Name[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate
PubChem CID69153291
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate
SMILESCOc1ccc(-c2cc(OC(=O)N[C@H]3CCCN(C)C3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C19H24N4O4S/c1-23-9-3-4-13(11-23)21-19(25)27-15-10-16(28-17(15)22-18(20)24)12-5-7-14(26-2)8-6-12/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,21,25)(H3,20,22,24)/t13-/m0/s1
InChIKeyZBKDQMUOEYMOAB-ZDUSSCGKSA-N
XLogP3.10
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-(1-ethylpiperidin-3-yl)carbamate
CID 69153019
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-piperidin-3-yl]carbamate
CID 69153310
[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-[2-(diethylamino)ethoxy]phenyl]thiophen-3-yl] N-[(3S)-azepan-3-yl]carbamate
CID 69154046
[3-[(3S)-3-aminoazepane-1-carbonyl]-5-(4-methoxyphenyl)thiophen-2-yl]urea;hydrochloride
CID 68960850
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 174506569
1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94441247
[3-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)thiophen-2-yl]urea
CID 11494523
2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide
CID 67078144
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
2-(carbamoylamino)-N-(2-methoxyethyl)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 11624450

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate?
The IUPAC name of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate (CID 69153291) is [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate?
The canonical SMILES for [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate is COc1ccc(-c2cc(OC(=O)N[C@H]3CCCN(C)C3)c(NC(N)=O)s2)cc1.
What is the InChIKey of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate?
The InChIKey is ZBKDQMUOEYMOAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-23-9-3-4-13(11-23)21-19(25)27-15-10-16(28-17(15)22-18(20)24)12-5-7-14(26-2)8-6-12/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,21,25)(H3,20,22,24)/t13-/m0/s1.
What are the key properties of [2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate?
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3S)-1-methylpiperidin-3-yl]carbamate has a molecular weight of 404.49 g/mol, XLogP of 3.10, 5 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-[(3S)-1-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 69153291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).