N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide

C18H17N3O4S — CID 168559630

IUPACN-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1cc(NC2=CC(=O)N(CCO)C2=O)ccc1NC(=O)c1cccs1
InChIInChI=1S/C18H17N3O4S/c1-11-9-12(19-14-10-16(23)21(6-7-22)18(14)25)4-5-13(11)20-17(24)15-3-2-8-26-15/h2-5,8-10,19,22H,6-7H2,1H3,(H,20,24)
InChIKeyLJUYGJQKDUSLPL-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.97
Rot. Bonds6

About N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide

N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide (PubChem CID 168559630) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide
PubChem CID168559630
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1cc(NC2=CC(=O)N(CCO)C2=O)ccc1NC(=O)c1cccs1
InChIInChI=1S/C18H17N3O4S/c1-11-9-12(19-14-10-16(23)21(6-7-22)18(14)25)4-5-13(11)20-17(24)15-3-2-8-26-15/h2-5,8-10,19,22H,6-7H2,1H3,(H,20,24)
InChIKeyLJUYGJQKDUSLPL-UHFFFAOYSA-N
XLogP1.97
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]furan-2-carboxamide
CID 168558026
1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione
CID 168556834
1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione
CID 168559702
N-[5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]-4-methylbenzamide
CID 168558229
N-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylphenyl]acetamide
CID 168556139
N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-4-methylbenzamide
CID 168560087
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-3-methylbenzamide
CID 168560554
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonic acid
CID 168556010
3-methyl-4-(thiophene-2-carbonylamino)benzoate
CID 6978677
1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione
CID 168556530

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide (CID 168559630) is N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide is Cc1cc(NC2=CC(=O)N(CCO)C2=O)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide?
The InChIKey is LJUYGJQKDUSLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-11-9-12(19-14-10-16(23)21(6-7-22)18(14)25)4-5-13(11)20-17(24)15-3-2-8-26-15/h2-5,8-10,19,22H,6-7H2,1H3,(H,20,24).
What are the key properties of N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide?
N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 168559630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).