N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide

C16H19N3O3S — CID 119551954

IUPACN-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)C1CCNC1
InChIInChI=1S/C16H19N3O3S/c1-10-8-13(18-15(20)12-4-3-7-22-12)23-14(10)16(21)19(2)11-5-6-17-9-11/h3-4,7-8,11,17H,5-6,9H2,1-2H3,(H,18,20)
InChIKeyGVOCULTUENGEPT-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.34
Rot. Bonds4

About N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 119551954) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID119551954
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)C1CCNC1
InChIInChI=1S/C16H19N3O3S/c1-10-8-13(18-15(20)12-4-3-7-22-12)23-14(10)16(21)19(2)11-5-6-17-9-11/h3-4,7-8,11,17H,5-6,9H2,1-2H3,(H,18,20)
InChIKeyGVOCULTUENGEPT-UHFFFAOYSA-N
XLogP2.34
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-5-[methyl(piperidin-4-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119442590
2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335
N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 134061007
N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 86833515
N-[4-methyl-5-(pyrrolidin-2-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119511877
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119446697
4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230122
N-[5-(2-cyclopentylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]furan-2-carboxamide
CID 71889888
cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677533
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 38044186
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 119551954) is N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)C1CCNC1.
What is the InChIKey of N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is GVOCULTUENGEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-8-13(18-15(20)12-4-3-7-22-12)23-14(10)16(21)19(2)11-5-6-17-9-11/h3-4,7-8,11,17H,5-6,9H2,1-2H3,(H,18,20).
What are the key properties of N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 119551954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).