N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C19H28N2O4S — CID 68910178

IUPACN-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCC1(C)C(C(=O)Nc2sc3c(c2C(=O)NCCCO)CCOC3)C1(C)C
InChIInChI=1S/C19H28N2O4S/c1-18(2)14(19(18,3)4)16(24)21-17-13(15(23)20-7-5-8-22)11-6-9-25-10-12(11)26-17/h14,22H,5-10H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyYSEICKXBEWZALQ-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.55
Rot. Bonds6

About N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 68910178) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID68910178
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCC1(C)C(C(=O)Nc2sc3c(c2C(=O)NCCCO)CCOC3)C1(C)C
InChIInChI=1S/C19H28N2O4S/c1-18(2)14(19(18,3)4)16(24)21-17-13(15(23)20-7-5-8-22)11-6-9-25-10-12(11)26-17/h14,22H,5-10H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyYSEICKXBEWZALQ-UHFFFAOYSA-N
XLogP2.55
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68905692
N-(5-hydroxypentyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68904162
N-butyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68904040
N-propyl-2-[[(1S,5R)-tricyclo[3.3.1.03,7]nonane-3-carbonyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 24822139
N-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68909831
N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]oxane-4-carboxamide
CID 31967351
N-(2-hydroxybutyl)-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 25160318
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 68906817
2-[(3,5-diethylbicyclo[2.2.0]hexane-1-carbonyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 162685445
2-(cycloheptanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
CID 68775961
2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69449815
N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 141226960

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 68910178) is N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is CC1(C)C(C(=O)Nc2sc3c(c2C(=O)NCCCO)CCOC3)C1(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is YSEICKXBEWZALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-18(2)14(19(18,3)4)16(24)21-17-13(15(23)20-7-5-8-22)11-6-9-25-10-12(11)26-17/h14,22H,5-10H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 68910178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).