3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide

C20H23N5O3S — CID 55539932

IUPAC3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccccc1C(NC(=O)CC(NC(N)=O)c1cccs1)c1nccn1C
InChIInChI=1S/C20H23N5O3S/c1-25-10-9-22-19(25)18(13-6-3-4-7-15(13)28-2)24-17(26)12-14(23-20(21)27)16-8-5-11-29-16/h3-11,14,18H,12H2,1-2H3,(H,24,26)(H3,21,23,27)
InChIKeyAUDCKVJSJJDYHB-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.50
Rot. Bonds8

About 3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 55539932) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID55539932
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccccc1C(NC(=O)CC(NC(N)=O)c1cccs1)c1nccn1C
InChIInChI=1S/C20H23N5O3S/c1-25-10-9-22-19(25)18(13-6-3-4-7-15(13)28-2)24-17(26)12-14(23-20(21)27)16-8-5-11-29-16/h3-11,14,18H,12H2,1-2H3,(H,24,26)(H3,21,23,27)
InChIKeyAUDCKVJSJJDYHB-UHFFFAOYSA-N
XLogP2.50
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86912245
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269495
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
2-(3-fluorophenyl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25389585
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-nitrophenyl)acetamide
CID 51269428
4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 55454281
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide
CID 24660525

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide (CID 55539932) is 3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide is COc1ccccc1C(NC(=O)CC(NC(N)=O)c1cccs1)c1nccn1C.
What is the InChIKey of 3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is AUDCKVJSJJDYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-25-10-9-22-19(25)18(13-6-3-4-7-15(13)28-2)24-17(26)12-14(23-20(21)27)16-8-5-11-29-16/h3-11,14,18H,12H2,1-2H3,(H,24,26)(H3,21,23,27).
What are the key properties of 3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 413.50 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55539932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).