2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide

C18H18N4O4S2 — CID 2575371

IUPAC2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO
InChIInChI=1S/C18H18N4O4S2/c19-15(25)12-6-9-27-16(12)21-14(24)10-28-18-20-13-5-2-1-4-11(13)17(26)22(18)7-3-8-23/h1-2,4-6,9,23H,3,7-8,10H2,(H2,19,25)(H,21,24)
InChIKeyXIDZPFUUHWAPJO-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.67
Rot. Bonds8

About 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide

2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide (PubChem CID 2575371) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
PubChem CID2575371
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO
InChIInChI=1S/C18H18N4O4S2/c19-15(25)12-6-9-27-16(12)21-14(24)10-28-18-20-13-5-2-1-4-11(13)17(26)22(18)7-3-8-23/h1-2,4-6,9,23H,3,7-8,10H2,(H2,19,25)(H,21,24)
InChIKeyXIDZPFUUHWAPJO-UHFFFAOYSA-N
XLogP1.67
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
CID 135429093
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
2-[[2-(3-Methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 5239489
2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 6460856
2-[(3,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-methylphenyl)acetamide
CID 6491564
3-Cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
CID 8979981
2-[[2-(4-Oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 2472117
2-[[2-(6-Chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 2487681
2-[[2-[7-Chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 2611059
N-(4-methylphenyl)-2-{[4-oxo-3-(thien-2-ylmethyl)-3,4-dihydroquinazolin-2-yl]thio}acetamide
CID 4064737
2-(3-butan-2-yl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4524571
2-[[2-[3-(1-Methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 4579658

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide (CID 2575371) is 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO.
What is the InChIKey of 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide?
The InChIKey is XIDZPFUUHWAPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c19-15(25)12-6-9-27-16(12)21-14(24)10-28-18-20-13-5-2-1-4-11(13)17(26)22(18)7-3-8-23/h1-2,4-6,9,23H,3,7-8,10H2,(H2,19,25)(H,21,24).
What are the key properties of 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide?
2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2575371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).