N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C20H19N3O2S2 — CID 78852310

IUPACN-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)N(Cc2cccs2)C2CC2)s1
InChIInChI=1S/C20H19N3O2S2/c24-19(23(15-8-9-15)13-16-7-4-12-26-16)17-10-11-18(27-17)22-20(25)21-14-5-2-1-3-6-14/h1-7,10-12,15H,8-9,13H2,(H2,21,22,25)
InChIKeyIZIOSUHTEOLOIZ-UHFFFAOYSA-N
MW397.53 g/mol
LogP5.26
Rot. Bonds6

About N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 78852310) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID78852310
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC NameN-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)N(Cc2cccs2)C2CC2)s1
InChIInChI=1S/C20H19N3O2S2/c24-19(23(15-8-9-15)13-16-7-4-12-26-16)17-10-11-18(27-17)22-20(25)21-14-5-2-1-3-6-14/h1-7,10-12,15H,8-9,13H2,(H2,21,22,25)
InChIKeyIZIOSUHTEOLOIZ-UHFFFAOYSA-N
XLogP5.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 46546636
N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 82795082
5-(phenylcarbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 78849648
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531
N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134004472
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 86916933
1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea
CID 119374573
5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
CID 119387776
5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18164963
5-(phenylcarbamoylamino)-N-[(1-phenylcyclopropyl)methyl]thiophene-2-carboxamide
CID 78849767

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 78852310) is N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)N(Cc2cccs2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is IZIOSUHTEOLOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c24-19(23(15-8-9-15)13-16-7-4-12-26-16)17-10-11-18(27-17)22-20(25)21-14-5-2-1-3-6-14/h1-7,10-12,15H,8-9,13H2,(H2,21,22,25).
What are the key properties of N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 78852310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).