2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide

C26H30N4O3S — CID 174506569

IUPAC2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCN(CCc4ccccc4)CC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C26H30N4O3S/c1-33-21-9-7-19(8-10-21)23-17-22(25(34-23)29-26(27)32)24(31)28-20-12-15-30(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,17,20H,11-16H2,1H3,(H,28,31)(H3,27,29,32)
InChIKeyMPDBTJNQYMYJAW-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.35
Rot. Bonds8

About 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide

2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 174506569) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID174506569
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCN(CCc4ccccc4)CC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C26H30N4O3S/c1-33-21-9-7-19(8-10-21)23-17-22(25(34-23)29-26(27)32)24(31)28-20-12-15-30(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,17,20H,11-16H2,1H3,(H,28,31)(H3,27,29,32)
InChIKeyMPDBTJNQYMYJAW-UHFFFAOYSA-N
XLogP4.35
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-phenylthiophene-3-carboxamide
CID 67078144
2-(carbamoylamino)-N-(2-methoxyethyl)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 11624450
N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 11624156
[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-[(3S)-1-methylpiperidin-3-yl]carbamate
CID 69153291
(3S)-2-tert-butyl-3-[[2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carbonyl]amino]piperidine-1-carboxylic acid
CID 69270422
[3-[(3S)-3-aminoazepane-1-carbonyl]-5-(4-methoxyphenyl)thiophen-2-yl]urea;hydrochloride
CID 68960850
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophen-3-yl] N-[(3R)-pyrrolidin-3-yl]carbamate
CID 69153822
2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 175649732
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
[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)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide (CID 174506569) is 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide is COc1ccc(-c2cc(C(=O)NC3CCN(CCc4ccccc4)CC3)c(NC(N)=O)s2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is MPDBTJNQYMYJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-33-21-9-7-19(8-10-21)23-17-22(25(34-23)29-26(27)32)24(31)28-20-12-15-30(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,17,20H,11-16H2,1H3,(H,28,31)(H3,27,29,32).
What are the key properties of 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 174506569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).