2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide

C18H22N4O2S — CID 44560807

IUPAC2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(CNC3CCCC3)cc2)cc1C(N)=O
InChIInChI=1S/C18H22N4O2S/c19-16(23)14-9-15(25-17(14)22-18(20)24)12-7-5-11(6-8-12)10-21-13-3-1-2-4-13/h5-9,13,21H,1-4,10H2,(H2,19,23)(H3,20,22,24)
InChIKeyXGEGUPDDIPKVKO-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.04
Rot. Bonds6

About 2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide (PubChem CID 44560807) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide
PubChem CID44560807
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(CNC3CCCC3)cc2)cc1C(N)=O
InChIInChI=1S/C18H22N4O2S/c19-16(23)14-9-15(25-17(14)22-18(20)24)12-7-5-11(6-8-12)10-21-13-3-1-2-4-13/h5-9,13,21H,1-4,10H2,(H2,19,23)(H3,20,22,24)
InChIKeyXGEGUPDDIPKVKO-UHFFFAOYSA-N
XLogP3.04
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide (CID 44560807) is 2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccc(CNC3CCCC3)cc2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide?
The InChIKey is XGEGUPDDIPKVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c19-16(23)14-9-15(25-17(14)22-18(20)24)12-7-5-11(6-8-12)10-21-13-3-1-2-4-13/h5-9,13,21H,1-4,10H2,(H2,19,23)(H3,20,22,24).
What are the key properties of 2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-[(cyclopentylamino)methyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 44560807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).