N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide

C15H18N4O3S — CID 11624156

IUPACN-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN)c(NC(N)=O)s2)cc1
InChIInChI=1S/C15H18N4O3S/c1-22-10-4-2-9(3-5-10)12-8-11(13(20)18-7-6-16)14(23-12)19-15(17)21/h2-5,8H,6-7,16H2,1H3,(H,18,20)(H3,17,19,21)
InChIKeyQMIPNJWFPFFLJN-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.60
Rot. Bonds6

About N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide

N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide (PubChem CID 11624156) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
PubChem CID11624156
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN)c(NC(N)=O)s2)cc1
InChIInChI=1S/C15H18N4O3S/c1-22-10-4-2-9(3-5-10)12-8-11(13(20)18-7-6-16)14(23-12)19-15(17)21/h2-5,8H,6-7,16H2,1H3,(H,18,20)(H3,17,19,21)
InChIKeyQMIPNJWFPFFLJN-UHFFFAOYSA-N
XLogP1.60
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(carbamoylamino)-N-(2-methoxyethyl)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 11624450
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
CID 11560615
N-(1,3-benzodioxol-5-ylmethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 11711566
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 174506569
2-(carbamoylamino)-5-(4-chlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(3,4-dichlorophenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide;2-(carbamoylamino)-5-(3-methoxyphenyl)thiophene-3-carboxamide;2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 173236287
[3-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)thiophen-2-yl]urea
CID 11494523
N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide
CID 143003380
N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162699
[3-[(3S)-3-aminoazepane-1-carbonyl]-5-(4-methoxyphenyl)thiophen-2-yl]urea;hydrochloride
CID 68960850
2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide
CID 7673753
N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride
CID 119384390
2-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-3-carboxamide
CID 10317409

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide (CID 11624156) is N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide is COc1ccc(-c2cc(C(=O)NCCN)c(NC(N)=O)s2)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide?
The InChIKey is QMIPNJWFPFFLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-22-10-4-2-9(3-5-10)12-8-11(13(20)18-7-6-16)14(23-12)19-15(17)21/h2-5,8H,6-7,16H2,1H3,(H,18,20)(H3,17,19,21).
What are the key properties of N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide?
N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 11624156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).