3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide

C18H24N4O3S — CID 68713376

IUPAC3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide
SMILESCCN(CCOC)Cc1ccc(-c2cc(NC(N)=O)c(C(N)=O)s2)cc1
InChIInChI=1S/C18H24N4O3S/c1-3-22(8-9-25-2)11-12-4-6-13(7-5-12)15-10-14(21-18(20)24)16(26-15)17(19)23/h4-7,10H,3,8-9,11H2,1-2H3,(H2,19,23)(H3,20,21,24)
InChIKeyQBPKRXCBNYNLFN-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.47
Rot. Bonds9

About 3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide

3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide (PubChem CID 68713376) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide
PubChem CID68713376
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide
SMILESCCN(CCOC)Cc1ccc(-c2cc(NC(N)=O)c(C(N)=O)s2)cc1
InChIInChI=1S/C18H24N4O3S/c1-3-22(8-9-25-2)11-12-4-6-13(7-5-12)15-10-14(21-18(20)24)16(26-15)17(19)23/h4-7,10H,3,8-9,11H2,1-2H3,(H2,19,23)(H3,20,21,24)
InChIKeyQBPKRXCBNYNLFN-UHFFFAOYSA-N
XLogP2.47
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-3-carboxamide
CID 10317409
5-[4-[[benzyl(2-hydroxyethyl)amino]methyl]phenyl]-3-(carbamoylamino)thiophene-2-carboxamide
CID 68714909
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
3-[[benzyl(ethyl)carbamoyl]amino]-5-(4-methoxyphenyl)thiophene-2-carboxylic acid
CID 71739691
N-ethyl-2-methoxy-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62434714
3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
CID 55136245
4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol
CID 107694004
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815802
2-(carbamoylamino)-N-(2-methoxyethyl)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 11624450
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide (CID 68713376) is 3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide is CCN(CCOC)Cc1ccc(-c2cc(NC(N)=O)c(C(N)=O)s2)cc1.
What is the InChIKey of 3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is QBPKRXCBNYNLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-3-22(8-9-25-2)11-12-4-6-13(7-5-12)15-10-14(21-18(20)24)16(26-15)17(19)23/h4-7,10H,3,8-9,11H2,1-2H3,(H2,19,23)(H3,20,21,24).
What are the key properties of 3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide?
3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.47, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 68713376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).